Assay Report Card

Basic Information

ID: ALA3301363

Type: Physicochemical

Description: ASTRAZENECA: Octan-1-ol/water (pH7.4) distribution coefficent measured by a shake flask method described in J. Biomol. Screen. 2011, 16, 348-355. Experimental range -1.5 to 4.5

Activity Charts

Compound Summary

Parent Molecular WeightALogPPolar Surface Area
383.411.781.78
361.371.541.54
232.241.421.42
331.351.581.58
319.341.271.27
377.444.684.68
212.253.033.03
392.873.163.16
328.402.502.50
437.323.273.27
280.423.883.88
365.842.082.08
303.291.771.77
284.753.153.15
249.352.152.15
167.302.422.42
252.271.771.77
314.864.534.53
262.351.181.18
216.192.552.55
305.160.290.29
222.25-0.86-0.86
290.321.261.26
454.615.095.09
398.403.703.70
239.081.561.56
414.533.373.37
145.161.211.21
334.213.713.71
407.514.954.95
341.430.560.56
288.433.883.88
307.432.392.39
138.121.091.09
375.401.981.98
328.412.142.14
401.442.372.37
297.75-0.35-0.35
330.751.891.89
248.722.522.52
255.321.531.53
264.311.171.17
232.240.700.70
309.334.444.44
253.281.371.37
326.833.723.72
263.383.833.83
399.975.975.97
236.271.201.20
299.762.952.95
225.251.461.46
315.723.043.04
224.260.960.96
305.211.931.93
303.143.613.61
270.242.582.58
394.423.703.70
331.183.753.75
250.343.573.57
293.373.133.13
254.242.872.87
218.211.981.98
385.512.092.09
229.212.192.19
395.432.422.42
276.381.961.96
375.874.434.43
187.292.182.18
341.430.560.56
347.242.922.92
287.793.673.67
137.14-0.31-0.31
255.272.292.29
321.763.183.18
293.332.572.57
494.013.643.64
441.581.981.98
370.595.895.89
369.373.523.52
318.874.894.89
266.393.533.53
232.281.351.35
329.373.333.33
382.465.495.49
351.411.561.56
473.596.086.08
421.451.851.85
213.281.881.88
410.493.593.59
299.802.002.00
399.442.872.87
221.303.153.15
465.643.553.55
549.483.473.47
530.503.933.93
522.403.293.29
536.533.993.99
548.494.074.07
432.352.042.04
496.493.393.39
402.401.831.83
414.361.901.90
531.493.333.33
276.751.741.74
428.392.362.36
316.430.500.50
248.331.911.91
528.433.353.35
284.321.591.59
472.402.502.50
536.554.314.31
397.576.006.00
190.151.031.03
239.232.192.19
236.302.732.73
198.272.702.70
379.504.364.36
292.342.862.86
129.162.232.23
309.413.423.42
136.151.041.04
113.160.680.68
259.352.582.58
296.154.744.74
285.392.662.66
328.824.894.89
304.223.383.38
287.414.704.70
339.483.363.36
337.422.562.56
303.360.920.92
313.292.552.55
230.263.043.04
312.323.493.49
270.242.582.58
146.141.791.79
308.383.793.79
384.594.164.16
314.474.724.72
370.432.552.55
414.943.853.85
528.681.771.77
398.483.333.33
197.241.581.58
584.552.852.85
226.282.222.22
529.523.503.50
530.503.933.93
395.382.372.37
522.522.062.06
577.561.121.12
464.402.142.14
139.111.301.30
187.211.201.20
138.131.181.18
559.712.962.96
322.393.683.68
552.511.411.41
265.351.991.99
306.280.740.74
354.463.203.20
285.734.274.27
324.403.813.81
208.261.161.16
399.442.872.87
308.843.453.45
270.333.013.01
393.443.413.41
236.273.393.39
356.513.253.25
354.452.652.65
129.162.232.23
179.262.032.03
238.332.852.85
351.351.801.80
244.263.683.68
284.434.244.24
251.293.623.62
151.161.351.35
254.283.403.40
194.19-1.03-1.03
221.263.613.61
179.222.042.04
403.983.943.94
356.424.374.37
148.161.571.57
236.311.771.77
352.435.265.26
254.293.113.11
165.191.451.45
128.172.842.84
321.163.103.10
613.802.872.87
253.270.830.83
254.242.872.87
285.692.772.77
381.383.513.51
210.261.211.21
361.455.675.67
305.762.732.73
260.382.852.85
471.696.456.45
356.453.163.16
357.442.492.49
246.291.891.89
259.142.762.76
339.393.863.86
474.571.841.84
437.464.214.21
247.342.212.21
387.441.061.06
161.252.152.15
598.672.822.82
397.453.913.91
337.351.121.12
371.872.362.36
287.363.383.38
201.252.692.69
548.624.704.70
188.231.481.48
223.323.123.12
209.293.073.07
278.310.190.19
295.411.321.32
341.453.243.24
277.413.043.04
349.322.182.18
381.914.304.30
323.130.910.91
235.331.341.34
255.363.723.72
336.432.372.37
284.434.244.24
294.444.124.12
325.452.372.37
162.241.851.85
343.224.234.23
374.481.801.80
414.353.443.44
265.362.482.48
325.774.324.32
371.282.682.68
272.393.613.61
151.251.911.91
308.773.583.58
277.414.214.21
378.524.364.36
171.160.090.09
272.423.793.79
275.404.554.55
477.575.285.28
488.491.661.66
573.524.234.23
564.593.233.23
355.875.185.18
414.332.912.91
295.302.972.97
281.234.154.15
296.154.364.36
241.293.753.75
450.985.785.78
447.986.186.18
296.413.283.28
575.735.375.37
141.170.450.45
264.372.622.62
221.303.153.15
279.383.273.27
249.301.461.46
416.884.554.55
446.914.284.28
204.31-0.29-0.29
267.283.453.45
417.554.184.18
272.233.013.01
312.443.443.44
137.140.490.49
376.423.343.34
406.483.743.74
410.565.335.33
437.534.314.31
403.375.735.73
373.954.584.58
256.311.651.65
464.585.925.92
256.102.012.01
234.202.782.78
397.383.273.27
381.354.684.68
212.230.620.62
322.394.084.08
304.353.813.81
363.805.355.35
422.573.833.83
256.091.931.93
272.262.512.51
468.583.823.82
257.312.732.73
317.393.413.41
200.283.183.18
389.412.212.21
411.514.954.95
378.383.263.26
363.413.453.45
342.352.502.50
303.361.871.87
270.351.781.78
253.303.563.56
586.208.958.95
650.983.953.95
303.362.062.06
189.211.161.16
209.25-0.13-0.13
230.263.043.04
276.213.213.21
354.456.156.15
179.312.692.69
381.695.805.80
219.241.461.46
306.245.185.18
194.15-2.08-2.08
424.524.744.74
336.483.813.81
245.373.153.15
221.263.373.37
357.173.243.24
304.282.022.02
218.261.171.17
169.233.433.43
391.344.834.83
311.411.771.77
232.240.890.89
291.444.884.88
320.320.660.66
479.501.351.35
201.312.992.99
327.813.773.77
404.493.803.80
231.301.551.55
263.793.963.96
392.412.352.35
204.062.302.30
530.465.195.19
477.055.095.09
348.194.204.20
276.041.431.43
237.303.403.40
369.473.653.65
371.282.682.68
392.412.082.08
278.403.923.92
218.261.471.47
271.363.423.42
314.372.962.96
243.293.373.37
243.293.373.37
177.231.791.79
227.293.673.67
375.214.824.82
401.254.994.99
227.293.673.67
423.565.845.84
210.242.212.21
182.180.940.94
562.807.437.43
496.706.486.48
365.842.712.71
220.283.483.48
375.421.651.65
262.323.223.22
404.460.580.58
360.410.960.96
274.18
210.282.642.64
263.20-1.29-1.29
271.353.263.26
239.753.303.30
408.454.894.89
223.232.312.31
374.913.063.06
285.372.202.20
250.203.043.04
253.212.642.64
253.212.642.64
208.222.732.73
223.232.312.31
269.393.663.66
253.212.642.64
337.332.622.62
466.452.522.52
223.232.312.31
223.232.312.31
420.514.994.99
559.695.715.71
293.323.473.47
307.353.723.72
518.566.386.38
290.344.464.46
209.202.132.13
337.46-0.77-0.77
458.634.334.33
371.393.893.89
328.374.804.80
302.304.544.54
393.444.184.18
393.444.184.18
351.363.013.01
319.413.053.05
238.332.852.85
501.675.515.51
130.151.631.63
257.292.312.31
204.231.121.12
380.966.466.46
504.64-0.02-0.02
352.915.825.82
254.242.872.87
226.282.642.64
379.895.685.68
720.965.915.91
237.263.313.31
404.874.514.51
390.854.114.11
295.343.703.70
416.884.654.65
445.933.803.80
444.945.435.43
430.915.045.04
493.624.594.59
211.331.581.58
297.321.871.87
333.754.184.18
395.063.383.38
309.203.253.25
340.854.304.30
144.181.821.82
266.662.362.36
389.891.231.23
310.311.111.11
481.344.764.76
405.976.566.56
289.423.383.38
144.181.821.82
122.171.281.28
551.634.204.20
270.213.253.25
310.340.880.88
227.262.362.36
303.834.634.63
295.393.313.31
387.444.434.43
387.894.004.00
386.432.052.05
282.223.543.54
159.191.841.84
302.142.792.79
312.412.532.53
198.220.430.43
193.252.792.79
463.343.943.94
204.231.121.12
501.413.033.03
414.332.912.91
339.413.863.86
315.384.534.53
430.382.882.88
220.181.021.02
342.463.663.66
236.272.512.51
452.474.014.01
383.531.941.94
565.573.603.60
423.392.362.36
281.363.143.14
535.543.593.59
244.252.682.68
352.275.285.28
657.787.857.85
281.313.363.36
238.243.173.17
388.903.153.15
147.181.021.02
270.382.922.92
354.454.614.61
517.963.003.00
366.554.834.83
198.682.942.94
465.583.113.11
451.562.762.76
437.532.372.37
335.804.504.50
345.732.002.00
366.412.182.18
402.822.622.62
386.782.062.06
438.512.852.85
404.791.251.25
195.222.622.62
182.200.960.96
459.871.201.20
440.464.034.03
514.637.267.26
340.472.932.93
254.293.113.11
333.473.403.40
146.150.690.69
257.292.192.19
277.505.305.30
655.830.380.38
373.473.833.83
695.763.633.63
375.565.045.04
192.18-0.92-0.92
248.311.681.68
557.534.854.85
533.644.504.50
286.813.333.33
432.484.374.37
464.612.902.90
546.654.734.73
547.635.315.31
545.664.744.74
550.245.745.74
365.393.883.88
383.371.931.93
328.431.171.17
163.002.702.70
380.660.820.82
390.473.793.79
250.312.582.58
281.383.723.72
338.770.920.92
306.804.024.02
347.423.283.28
451.593.833.83
361.443.363.36
418.574.594.59
321.381.811.81
341.412.212.21
252.272.642.64
228.293.373.37
370.924.794.79
293.324.034.03
233.353.163.16
287.453.943.94
396.953.153.15
364.423.043.04
445.552.082.08
414.473.533.53
254.292.492.49
456.554.704.70
427.534.114.11
253.721.721.72
548.787.217.21
296.332.832.83
205.263.903.90
118.141.561.56
546.654.734.73
205.241.791.79
204.252.402.40
194.243.233.23
303.414.894.89
478.425.175.17
315.875.195.19
386.594.904.90
136.200.690.69
309.373.573.57
474.345.105.10
374.342.172.17
332.363.943.94
373.263.033.03
291.733.303.30
237.691.141.14
204.231.301.30
256.333.713.71
242.303.253.25
378.783.223.22
298.302.752.75
179.220.720.72
311.473.963.96
281.313.393.39
255.714.034.03
235.293.683.68
322.413.743.74
307.791.251.25
313.793.433.43
640.615.715.71
380.414.184.18
168.202.022.02
150.211.881.88
349.434.864.86
307.353.303.30
292.321.611.61
425.924.004.00
257.313.063.06
336.443.413.41
452.563.823.82
309.28-2.28-2.28
144.181.821.82
335.412.602.60
399.882.612.61
353.402.742.74
425.923.153.15
427.944.234.23
511.424.254.25
448.354.574.57
486.404.604.60
501.424.884.88
487.394.494.49
415.443.543.54
413.913.923.92
413.913.923.92
411.483.713.71
486.404.604.60
427.944.234.23
487.394.494.49
413.913.923.92
263.384.164.16
393.493.573.57
448.354.574.57
409.493.273.27
404.473.143.14
379.463.273.27
295.382.972.97
346.825.015.01
303.413.163.16
267.751.941.94
309.494.404.40
376.423.343.34
269.393.633.63
232.241.701.70
373.413.063.06
527.675.995.99
235.293.243.24
306.154.624.62
546.626.616.61
292.191.501.50
327.422.802.80
613.834.534.53
451.394.854.85
357.334.264.26
391.344.834.83
371.354.504.50
308.331.311.31
466.855.545.54
424.532.442.44
432.414.894.89
450.405.035.03
462.434.904.90
454.214.374.37
452.454.784.78
495.693.133.13
478.643.213.21
515.663.523.52
504.633.653.65
557.722.282.28
497.612.552.55
296.370.490.49
515.663.453.45
469.535.625.62
479.622.412.41
479.622.772.77
485.652.672.67
498.693.663.66
493.652.642.64
430.573.853.85
478.643.463.46
348.432.532.53
493.652.722.72
444.604.244.24
511.692.962.96
414.574.664.66
428.564.224.22
496.683.453.45
442.635.445.44
457.603.293.29
547.623.433.43
514.073.063.06
458.624.634.63
317.393.943.94
588.561.341.34
225.293.503.50
250.343.333.33
371.442.832.83
589.574.554.55
573.524.234.23
545.522.742.74
530.503.933.93
530.503.933.93
423.443.223.22
529.523.503.50
345.833.463.46
311.382.812.81
336.402.682.68
474.461.401.40
527.443.053.05
557.533.673.67
473.472.162.16
529.523.503.50
534.491.871.87
545.522.742.74
437.422.752.75
592.603.553.55
382.371.991.99
557.533.673.67
557.533.673.67
558.564.554.55
380.495.255.25
201.231.971.97
308.343.573.57
416.522.382.38
296.303.703.70
237.263.313.31
301.474.504.50
344.504.844.84
310.834.024.02
237.272.352.35
222.252.772.77
229.242.352.35
413.363.763.76
235.293.683.68
295.343.263.26
197.242.942.94
297.424.634.63
393.473.573.57
373.432.472.47
330.393.883.88
323.403.683.68
436.275.495.49
329.404.304.30
348.434.044.04
337.424.244.24
351.454.554.55
343.434.784.78
463.483.513.51
354.751.631.63
220.283.743.74
250.321.551.55
244.300.250.25
144.172.552.55
438.461.881.88
414.441.401.40
385.854.244.24
261.283.283.28
295.733.933.93
482.535.155.15
270.341.231.23
476.566.256.25
562.725.035.03
200.031.551.55
401.943.323.32
499.595.165.16
297.313.103.10
306.453.723.72
402.543.713.71
443.643.473.47
284.454.254.25
350.414.804.80
417.385.665.66
416.495.375.37
348.494.354.35
222.253.003.00
261.301.691.69
277.762.212.21
243.311.561.56
229.281.211.21
257.341.951.95
243.311.601.60
273.341.561.56
257.341.861.86
257.341.571.57
322.212.322.32
678.665.875.87
622.606.156.15
678.687.607.60
679.655.275.27
662.666.206.20
648.635.865.86
291.353.893.89
437.655.445.44
318.853.873.87
555.635.425.42
519.584.704.70
318.853.873.87
303.834.294.29
445.484.194.19
333.864.294.29
299.413.643.64
348.284.404.40
283.413.943.94
270.072.002.00
298.091.781.78
338.284.944.94
313.444.554.55
313.444.554.55
595.725.185.18
251.293.393.39
603.786.156.15
345.194.574.57
365.174.604.60
388.175.715.71
417.515.055.05
350.204.704.70
301.734.344.34
290.413.143.14
284.272.882.88
424.592.842.84
370.382.202.20
447.421.191.19
370.382.202.20
405.362.602.60
360.343.023.02
259.352.572.57
359.452.992.99
448.523.283.28
388.821.571.57
326.233.993.99
238.243.173.17
450.405.035.03
255.201.721.72
357.493.343.34
221.651.361.36
260.332.022.02
255.372.652.65
303.411.171.17
389.352.482.48
523.551.091.09
149.94
329.391.421.42
374.342.172.17
373.352.772.77
391.342.912.91
326.362.572.57
371.342.752.75
425.626.916.91
173.170.890.89
217.221.211.21
349.391.871.87
355.224.084.08
461.472.642.64
252.273.373.37
253.262.152.15
535.605.685.68
495.584.944.94
372.813.143.14
584.745.165.16
407.504.034.03
453.523.743.74
342.331.951.95
296.332.832.83
255.282.212.21
379.421.781.78
452.605.225.22
179.262.032.03
179.262.032.03
236.320.160.16
317.222.452.45
254.292.352.35
335.472.072.07
392.814.514.51
240.312.822.82
414.833.853.85
317.352.832.83
134.140.540.54
255.281.471.47
249.273.603.60
234.211.681.68
204.181.701.70
247.692.102.10
309.334.444.44
282.340.080.08
473.417.497.49
324.423.173.17
242.273.673.67
531.444.214.21
324.423.173.17
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