Assay Report Card

Basic Information

ID: ALA1909317

Type: ADME

Description: Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver disease

Tissue: Liver

Activity Charts

Compound Summary

Parent Molecular WeightALogPPolar Surface Area
383.411.781.78
162.241.851.85
361.371.541.54
232.241.421.42
357.793.933.93
331.351.581.58
319.341.271.27
135.211.581.58
236.14-1.06-1.06
280.423.883.88
365.842.082.08
303.291.771.77
441.554.374.37
430.382.882.88
284.753.153.15
267.371.611.61
167.302.422.42
182.65-0.21-0.21
252.271.771.77
914.196.186.18
804.034.644.64
314.864.534.53
216.192.552.55
236.28-1.42-1.42
222.25-0.86-0.86
172.21-0.08-0.08
290.321.261.26
454.615.095.09
398.403.703.70
414.533.373.37
266.340.450.45
180.161.311.31
407.514.954.95
307.432.392.39
259.352.582.58
156.061.401.40
334.400.860.86
416.361.891.89
252.350.600.60
375.401.981.98
328.412.142.14
401.442.372.37
389.390.970.97
211.261.131.13
297.75-0.35-0.35
330.751.891.89
248.722.522.52
250.280.860.86
581.671.991.99
300.445.605.60
262.311.311.31
309.334.444.44
326.833.723.72
263.383.833.83
238.291.351.35
226.281.181.18
299.762.952.95
315.723.043.04
267.311.671.67
214.250.090.09
393.474.514.51
315.484.274.27
303.143.613.61
250.343.573.57
293.373.133.13
385.512.092.09
211.220.440.44
276.381.961.96
267.332.852.85
375.874.434.43
194.190.080.08
266.302.652.65
314.475.745.74
444.49-0.14-0.14
153.180.600.60
76.05-0.96-0.96
414.412.412.41
137.14-0.31-0.31
258.230.090.09
255.272.292.29
272.371.091.09
494.013.643.64
441.581.981.98
182.190.070.07
267.25-1.98-1.98
370.595.895.89
369.373.523.52
586.694.094.09
285.341.201.20
287.22-0.05-0.05
318.874.894.89
266.393.533.53
232.281.351.35
319.884.814.81
329.373.333.33
234.342.582.58
327.381.301.30
473.596.086.08
371.526.006.00
654.613.193.19
360.493.543.54
421.451.851.85
410.493.593.59
468.372.112.11
299.802.002.00
853.923.743.74
354.493.483.48
406.916.616.61
261.091.881.88
276.751.741.74
316.430.500.50
248.331.911.91
300.05
160.180.920.92
924.090.710.71
416.136.456.45
198.272.702.70
379.504.364.36
404.554.204.20
309.413.423.42
274.803.823.82
259.352.782.78
244.890.430.43
296.154.744.74
214.051.161.16
233.702.252.25
103.12-0.19-0.19
304.223.383.38
287.414.704.70
187.201.021.02
339.483.363.36
206.283.073.07
281.272.382.38
178.273.643.64
331.351.581.58
383.41-0.56-0.56
749.001.901.90
314.504.274.27
733.941.791.79
384.594.164.16
314.474.724.72
309.434.014.01
398.483.333.33
60.050.090.09
344.855.385.38
334.33-1.65-1.65
306.280.740.74
352.473.253.25
324.403.813.81
208.261.161.16
393.443.413.41
236.273.393.39
144.212.292.29
560.690.920.92
179.262.032.03
351.351.801.80
352.772.812.81
244.263.683.68
194.19-1.03-1.03
403.983.943.94
286.722.452.45
356.424.374.37
236.311.771.77
254.293.113.11
238.160.070.07
290.833.643.64
123.110.780.78
376.451.601.60
321.163.103.10
316.162.632.63
670.863.093.09
613.802.872.87
567.804.754.75
505.642.402.40
253.270.830.83
381.383.513.51
369.432.742.74
305.762.732.73
260.382.852.85
456.572.722.72
302.422.212.21
356.453.163.16
336.484.144.14
357.442.492.49
281.362.842.84
351.411.951.95
163.20-0.49-0.49
131.13-0.62-0.62
77.15-0.13-0.13
341.411.531.53
575.695.705.70
314.362.562.56
382.543.953.95
247.342.212.21
387.441.061.06
123.11-0.42-0.42
350.400.700.70
337.351.121.12
383.47-0.31-0.31
371.872.362.36
287.363.383.38
470.023.553.55
201.252.692.69
287.414.994.99
278.310.190.19
277.414.174.17
295.411.321.32
341.453.243.24
645.326.946.94
416.531.381.38
358.431.771.77
250.342.762.76
277.413.043.04
267.24-0.20-0.20
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
360.451.561.56
294.444.124.12
325.452.372.37
343.224.234.23
245.111.761.76
405.442.362.36
374.481.801.80
309.454.294.29
414.353.443.44
230.102.362.36
265.362.482.48
325.774.324.32
315.371.051.05
272.393.613.61
255.363.353.35
386.564.214.21
287.361.851.85
151.251.911.91
308.773.583.58
277.414.214.21
126.00-0.16-0.16
146.210.260.26
171.160.090.09
263.384.304.30
275.404.554.55
189.220.160.16
360.844.684.68
183.210.350.35
367.810.620.62
244.292.672.67
295.302.972.97
296.154.364.36
241.293.753.75
182.17-3.59-3.59
141.170.450.45
203.241.331.33
136.200.840.84
213.661.861.86
517.56-0.24-0.24
290.400.270.27
153.140.670.67
451.481.721.72
412.953.813.81
389.461.351.35
372.553.813.81
229.26-0.59-0.59
239.311.311.31
312.443.443.44
383.522.862.86
500.632.592.59
406.483.743.74
437.534.314.31
167.200.600.60
373.954.584.58
227.08-1.02-1.02
256.102.012.01
237.732.902.90
234.202.782.78
212.230.620.62
303.834.194.19
274.403.493.49
256.091.931.93
210.282.382.38
198.310.740.74
295.381.531.53
160.221.231.23
102.09-1.62-1.62
608.694.174.17
75.07-0.97-0.97
174.252.062.06
211.261.131.13
200.283.183.18
389.412.212.21
327.473.373.37
270.351.781.78
317.433.263.26
586.208.958.95
354.10-1.22-1.22
505.464.184.18
233.312.092.09
294.753.273.27
454.450.270.27
209.25-0.13-0.13
230.263.043.04
378.324.454.45
243.22-2.56-2.56
276.213.213.21
179.312.692.69
381.695.805.80
306.245.185.18
194.15-2.08-2.08
424.524.744.74
312.422.322.32
318.343.203.20
311.411.771.77
401.441.901.90
246.31-0.28-0.28
291.444.884.88
361.833.553.55
182.17-0.23-0.23
327.813.773.77
404.493.803.80
263.793.963.96
235.07-1.66-1.66
408.522.342.34
435.44-1.17-1.17
546.59-1.30-1.30
424.502.572.57
292.381.701.70
477.055.095.09
295.73-0.06-0.06
292.141.761.76
416.655.705.70
259.260.030.03
295.454.374.37
305.211.931.93
211.22-0.50-0.50
218.260.540.54
292.24-2.07-2.07
218.261.471.47
246.101.551.55
290.793.403.40
314.372.962.96
204.31-0.29-0.29
320.342.732.73
588.561.341.34
1449.27
249.10-1.27-1.27
206.03-0.99-0.99
810.993.993.99
1202.63
157.210.840.84
365.842.712.71
321.340.540.54
247.25-0.46-0.46
171.241.901.90
263.20-1.29-1.29
342.30-5.40-5.40
470.333.203.20
239.753.303.30
357.451.711.71
374.913.063.06
285.372.202.20
250.203.043.04
269.393.663.66
337.46-0.77-0.77
543.530.000.00
269.351.911.91
307.403.253.25
501.675.515.51
415.312.482.48
440.612.952.95
242.23-1.51-1.51
501.482.702.70
554.59-1.20-1.20
283.11-0.37-0.37
1140.25
301.392.962.96
395.42-0.17-0.17
204.231.121.12
146.15-1.34-1.34
197.382.512.51
504.64-0.02-0.02
226.282.642.64
720.965.915.91
446.914.284.28
171.241.371.37
493.624.594.59
211.331.581.58
229.63-1.08-1.08
305.291.781.78
260.313.173.17
551.634.204.20
179.312.552.55
270.213.253.25
296.553.623.62
300.752.472.47
387.894.004.00
187.292.182.18
285.433.883.88
164.18-0.20-0.20
705.655.585.58
312.412.532.53
218.250.980.98
286.465.515.51
452.492.372.37
317.485.775.77
224.22-0.71-0.71
427.460.100.10
319.230.500.50
382.894.894.89
388.903.153.15
376.452.002.00
214.23-0.25-0.25
346.11
349.770.710.71
440.464.034.03
514.637.267.26
257.292.192.19
348.496.106.10
261.091.881.88
375.565.045.04
301.392.812.81
219.28-1.45-1.45
384.657.627.62
248.311.681.68
131.180.590.59
432.604.194.19
338.770.920.92
159.231.081.08
418.574.594.59
252.272.642.64
435.534.164.16
352.484.364.36
228.293.373.37
293.324.034.03
287.453.943.94
364.423.043.04
445.552.082.08
427.534.114.11
253.721.721.72
129.160.360.36
824.973.523.52
365.410.020.02
246.352.732.73
386.594.904.90
136.200.690.69
284.382.172.17
204.231.301.30
288.443.903.90
311.473.963.96
249.322.472.47
500.438.648.64
379.443.683.68
294.362.412.41
378.433.523.52
448.394.864.86
313.793.433.43
181.220.570.57
497.501.021.02
118.16-0.22-0.22
263.382.732.73
1143.29
309.494.404.40
296.20-0.80-0.80
326.445.175.17
812.024.934.93
409.434.894.89
352.473.413.41
424.532.442.44
348.432.532.53
384.25
298.433.493.49
704.874.214.21
498.582.582.58
508.650.910.91
332.35-2.93-2.93
416.522.382.38
310.834.024.02
831.98-1.84-1.84
297.424.634.63
176.180.600.60
287.361.921.92
97.99-0.93-0.93
294.392.562.56
443.643.473.47
262.220.840.84
378.410.490.49
359.452.992.99
247.280.530.53
397.766.526.52
388.821.571.57
312.411.291.29
357.493.343.34
260.332.022.02
405.501.241.24
188.221.891.89
374.914.044.04
90.08-0.55-0.55
184.492.352.35
184.492.352.35
429.136.126.12
415.574.114.11
395.27
412.536.686.68
200.282.112.11
452.605.225.22
317.222.452.45
335.472.072.07
243.311.341.34
240.312.822.82
170.21-0.13-0.13
291.443.473.47
309.412.272.27
473.417.497.49
324.423.173.17
411.796.646.64
242.273.673.67
531.444.214.21
532.474.464.46
82.110.720.72
191.14-1.28-1.28
221.301.051.05
547.672.382.38
273.242.552.55
464.835.555.55
161.20-1.81-1.81
426.563.963.96
495.756.886.88
332.313.973.97
324.34-0.80-0.80
318.612.072.07
371.25
84.01
82.03
606.788.688.68
475.520.940.94
349.410.320.32
929.168.078.07
572.886.116.11
678.49
614.65-8.90-8.90
430.542.722.72
169.571.771.77
273.362.012.01
286.341.091.09
325.505.345.34
615.63-8.86-8.86
484.50-7.29-7.29
200.242.972.97
312.453.883.88
344.504.084.08
416.584.854.85
302.464.274.27
585.61-8.42-8.42
700.794.574.57
581.58-8.16-8.16
527.531.031.03
293.372.932.93
427.552.312.31
323.421.631.63
207.272.442.44
279.864.744.74
137.160.320.32
488.023.313.31
461.565.865.86
288.433.883.88
152.180.640.64
425.923.353.35
230.681.681.68
822.954.344.34
418.452.972.97
392.471.901.90
255.23-1.97-1.97
225.21-1.33-1.33
324.450.610.61
383.520.090.09
339.37-0.40-0.40
1069.24
130.08-0.80-0.80
149.210.110.11
129.17-1.03-1.03
444.44-0.35-0.35
457.480.190.19
454.52-0.64-0.64
424.39-0.54-0.54
480.57-1.28-1.28
602.687.337.33
169.180.090.09
332.31-3.58-3.58
585.660.510.51
444.44-0.21-0.21
166.251.281.28
458.501.981.98
427.420.670.67
362.471.781.78
285.312.662.66
315.684.074.07
336.453.333.33
406.55-0.86-0.86
366.845.515.51
211.221.621.62
394.440.620.62
180.17-1.04-1.04
236.23-0.21-0.21
1007.21
129.09-0.51-0.51
308.333.613.61
136.110.060.06
847.024.624.62
164.202.092.09
534.434.954.95
459.564.884.88
337.464.224.22
384.263.963.96
490.633.073.07
161.220.180.18
265.343.243.24
479.533.683.68
422.924.274.27
474.591.611.61
174.20-1.34-1.34
558.656.316.31
301.474.334.33
408.882.272.27
391.474.414.41
481.552.402.40
360.451.991.99
494.532.942.94
285.341.631.63
346.342.182.18
383.382.882.88
345.422.902.90
335.472.202.20
382.533.823.82
434.502.272.27
428.544.784.78
114.170.710.71
460.44-1.24-1.24
475.684.024.02
170.241.381.38
430.552.772.77
488.612.072.07
305.342.642.64
391.296.116.11
1415.58
335.883.783.78
253.26-0.90-0.90
453.46-0.54-0.54
277.271.151.15
650.983.953.95
450.719.169.16
392.584.484.48
1255.44
926.110.940.94
217.290.630.63
289.381.931.93
207.23-3.26-3.26
467.654.414.41
645.61-8.56-8.56
285.24-1.84-1.84
656.662.752.75
149.241.971.97
440.415.185.18
360.240.600.60
268.27-1.18-1.18
368.471.941.94
417.511.601.60
408.922.172.17
439.891.661.66
464.860.260.26
438.522.572.57
124.230.210.21
349.410.350.35
410.43-0.05-0.05
575.63-1.40-1.40
309.410.630.63
785.896.166.16
285.69-0.30-0.30
426.493.083.08
441.40-0.04-0.04
390.965.565.56
776.874.564.56
343.905.105.10
551.773.293.29
353.471.941.94
244.21-3.01-3.01
363.390.150.15
371.392.582.58
537.584.644.64
405.976.226.22
351.474.434.43
877.045.655.65
585.622.522.52
1270.29
320.055.935.93
427.46-0.54-0.54
620.742.302.30
645.68-1.11-1.11
473.45-0.73-0.73
421.421.631.63
420.352.702.70
791.11-0.41-0.41
347.400.440.44
465.953.363.36
455.47-0.62-0.62
583.692.082.08
778.954.754.75
373.373.713.71
268.27-2.71-2.71
747.962.442.44
467.52-6.30-6.30
303.68-0.35-0.35
780.952.222.22
424.990.390.39
378.523.173.17
138.06-0.09-0.09
225.291.521.52
331.300.010.01
376.472.782.78
321.833.673.67
359.350.760.76
310.444.004.00
211.271.801.80
274.413.513.51
145.16-0.53-0.53
635.902.522.52
240.300.700.70
723.652.462.46
414.503.123.12
62.020.220.22
1139.76
270.762.422.42
368.504.734.73
1029.28
303.360.920.92
337.423.593.59
296.412.662.66
205.302.602.60
301.392.872.87
243.173.053.05
573.66
242.232.622.62
296.414.034.03
488.583.703.70
121.14-2.34-2.34
283.33-1.04-1.04
306.453.543.54
326.617.807.80
821.14-1.63-1.63
661.77
330.362.122.12
1550.19
1422.72
58.44
332.484.404.40
558.69
376.472.922.92
284.362.212.21
807.11-2.02-2.02
370.534.504.50
416.655.565.56
1736.18
1728.09
412.615.095.09
810.475.725.72
30.01-0.45-0.45
558.604.174.17
200.052.422.42
74.55
502.583.523.52
168.042.082.08
1269.47
500.554.434.43
480.563.863.86
454.973.893.89
484.974.054.05
777.09-1.01-1.01
53.49
415.573.153.15
528.546.586.58
516.552.502.50
436.522.502.50
398.342.462.46
451.623.193.19
416.512.332.33
297.27-1.97-1.97
241.240.530.53
384.524.584.58
246.29-0.21-0.21
231.251.421.42
1096.35
437.787.027.02
149.241.841.84
307.444.424.42
254.29-0.19-0.19
557.845.975.97
253.811.771.77
291.392.332.33
529.794.414.41
1269.43
929.168.078.07
351.442.842.84
311.640.260.26
140.19-1.02-1.02
357.426.146.14
314.261.741.74
181.21-0.60-0.60
613.912.522.52
691.38
354.37-1.44-1.44
362.281.551.55
291.392.182.18
256.332.612.61
357.322.712.71
339.441.921.92
408.922.022.02
410.913.143.14
380.461.871.87
410.461.841.84
444.523.473.47
427.373.413.41
382.544.264.26
241.25-1.70-1.70
339.484.284.28
379.360.010.01
180.16-3.22-3.22
230.11-2.62-2.62
275.26-1.42-1.42
182.15-2.24-2.24
245.23
263.382.632.63
390.523.583.58
1035.24
344.412.222.22
429.605.415.41
420.43-1.04-1.04
357.140.860.86
412.372.852.85
420.534.894.89
279.383.963.96
1093.33
265.22-2.89-2.89
324.464.054.05
314.411.461.46
392.522.352.35
957.87
525.56-0.17-0.17
591.435.295.29
368.513.433.43
475.85
2666.94
540.704.704.70
215.94
1346.38
1239.45
26.32
7.95
604.72
372.556.266.26
411.474.634.63
1321.44
405.976.566.56
395.68
2072.71
324.382.522.52
1356.40
1390.73
563.676.126.12
427.973.773.77
331.471.321.32
389.430.710.71
1019.26
861.943.263.26
266.39
290.11-1.12-1.12
42.09
295.30-0.83-0.83
315.22-1.66-1.66