Basic Information
ID: ALA1614301
Type: Functional
Description: PUBCHEM_BIOASSAY: A qHTS for Small Molecule Inhibitors of Shiga Toxin (Confirmatory). (Class of assay: confirmatory) [Related pubchem assays: 2314, 2318, 2315 ]
Organism: Escherichia coli O157:H7
Activity Charts
Bioactivity
Activity Types for Assay ALA1614301
Potency
Compound Summary
| Parent Molecular Weight | ALogP | Polar Surface Area |
|---|---|---|
| 251.29 | 3.62 | 3.62 |
| 310.40 | 5.19 | 5.19 |
| 358.46 | 2.20 | 2.20 |
| 256.23 | 2.39 | 2.39 |
| 132.16 | 1.90 | 1.90 |
| 213.24 | 2.64 | 2.64 |
| 314.25 | 2.82 | 2.82 |
| 342.38 | 1.90 | 1.90 |
| 416.38 | 0.34 | 0.34 |
| 283.71 | 3.63 | 3.63 |
| 390.57 | 5.61 | 5.61 |
| 325.50 | 5.34 | 5.34 |
| 423.43 | 2.73 | 2.73 |
| 186.21 | 2.27 | 2.27 |
| 396.45 | 2.58 | 2.58 |
| 579.99 | 0.00 | 0.00 |
| 416.51 | 4.78 | 4.78 |
| 340.40 | 3.53 | 3.53 |
| 346.82 | 2.79 | 2.79 |
| 189.26 | 2.52 | 2.52 |
| 372.45 | 2.20 | 2.20 |
| 412.49 | 3.70 | 3.70 |
| 445.57 | 3.86 | 3.86 |
| 258.36 | 3.36 | 3.36 |
| 364.22 | 4.67 | 4.67 |
| 393.24 | 1.52 | 1.52 |
| 297.75 | 3.21 | 3.21 |
| 224.29 | 0.74 | 0.74 |
| 352.39 | 2.86 | 2.86 |
| 370.21 | 4.63 | 4.63 |
| 389.21 | 4.45 | 4.45 |
| 313.36 | 2.83 | 2.83 |
| 448.99 | 5.24 | 5.24 |
| 310.33 | 2.88 | 2.88 |
| 293.80 | 2.55 | 2.55 |
| 364.36 | 3.48 | 3.48 |
| 331.73 | 3.96 | 3.96 |
| 290.39 | 2.85 | 2.85 |
| 286.36 | 2.48 | 2.48 |
| 348.45 | 2.47 | 2.47 |
| 491.93 | 5.44 | 5.44 |
| 348.28 | 4.19 | 4.19 |
| 343.43 | 3.15 | 3.15 |
| 372.77 | 2.27 | 2.27 |
| 340.85 | 3.70 | 3.70 |
| 405.45 | 4.10 | 4.10 |
| 248.24 | 2.81 | 2.81 |
| 306.16 | 2.39 | 2.39 |
| 394.52 | 2.62 | 2.62 |
| 358.48 | 4.63 | 4.63 |
| 398.51 | 2.86 | 2.86 |
| 409.41 | 3.32 | 3.32 |
| 366.40 | 3.31 | 3.31 |
| 388.68 | 2.79 | 2.79 |
| 439.38 | 3.35 | 3.35 |
| 459.62 | 5.16 | 5.16 |
| 440.48 | 2.28 | 2.28 |
| 399.40 | 2.97 | 2.97 |
| 296.32 | 0.82 | 0.82 |
| 405.36 | 3.21 | 3.21 |
| 231.28 | 2.66 | 2.66 |
| 651.74 | 5.08 | 5.08 |
| 296.37 | 2.62 | 2.62 |
| 429.50 | 2.91 | 2.91 |
| 281.77 | 3.05 | 3.05 |
| 414.44 | 5.63 | 5.63 |
| 366.41 | 2.53 | 2.53 |
| 426.48 | 0.34 | 0.34 |
| 329.36 | 4.95 | 4.95 |
| 430.53 | 2.21 | 2.21 |
| 339.44 | 2.95 | 2.95 |
| 399.42 | 4.28 | 4.28 |
| 245.31 | 2.28 | 2.28 |
| 350.37 | 3.47 | 3.47 |
| 508.58 | 4.55 | 4.55 |
| 471.44 | 4.03 | 4.03 |
| 383.43 | 4.65 | 4.65 |
| 283.38 | 3.54 | 3.54 |
| 422.44 | 0.00 | 0.00 |
| 305.42 | 3.23 | 3.23 |
| 320.42 | 2.37 | 2.37 |
| 216.24 | 2.46 | 2.46 |
| 320.37 | 2.56 | 2.56 |
| 352.39 | 2.53 | 2.53 |
| 463.53 | 4.41 | 4.41 |
| 397.50 | 2.85 | 2.85 |
| 254.13 | 2.67 | 2.67 |
| 456.52 | 2.27 | 2.27 |
| 340.38 | 1.86 | 1.86 |
| 453.29 | 4.84 | 4.84 |
| 366.51 | 3.29 | 3.29 |
| 392.50 | 2.84 | 2.84 |
| 299.36 | 2.74 | 2.74 |
| 440.48 | 2.63 | 2.63 |
| 287.29 | 2.79 | 2.79 |
| 486.62 | 3.76 | 3.76 |
| 480.46 | 3.31 | 3.31 |
| 298.77 | 3.68 | 3.68 |
| 355.46 | 3.39 | 3.39 |
| 394.50 | 3.48 | 3.48 |
| 294.35 | 4.82 | 4.82 |
| 439.47 | 2.90 | 2.90 |
| 357.44 | 3.30 | 3.30 |
| 481.04 | 5.16 | 5.16 |
| 202.26 | 2.35 | 2.35 |
| 357.41 | 2.55 | 2.55 |
| 405.43 | 3.80 | 3.80 |
| 381.39 | 3.03 | 3.03 |
| 436.26 | 3.90 | 3.90 |
| 384.65 | 7.62 | 7.62 |
| 314.45 | 4.01 | 4.01 |
| 344.44 | 2.50 | 2.50 |
| 421.50 | 3.52 | 3.52 |
| 437.55 | 4.77 | 4.77 |
| 346.41 | 3.02 | 3.02 |
| 290.37 | 4.35 | 4.35 |
| 245.28 | 1.81 | 1.81 |
| 285.80 | 2.43 | 2.43 |
| 460.59 | 2.74 | 2.74 |
| 463.93 | 3.36 | 3.36 |
| 277.31 | 1.63 | 1.63 |
| 278.26 | 3.62 | 3.62 |
| 337.42 | 3.00 | 3.00 |
| 363.19 | 4.38 | 4.38 |
| 403.48 | 2.25 | 2.25 |
| 256.30 | 3.03 | 3.03 |
| 322.36 | 2.80 | 2.80 |
| 372.38 | 4.78 | 4.78 |
| 176.18 | 1.30 | 1.30 |
| 254.29 | 2.07 | 2.07 |
| 263.29 | 2.15 | 2.15 |
| 462.32 | 4.53 | 4.53 |
| 377.88 | 3.69 | 3.69 |
| 268.28 | 2.04 | 2.04 |
| 410.83 | 3.58 | 3.58 |
| 347.42 | 3.40 | 3.40 |
| 351.40 | 4.29 | 4.29 |
| 443.34 | 5.02 | 5.02 |
| 301.30 | 0.37 | 0.37 |
| 465.35 | 5.74 | 5.74 |
| 442.57 | 4.06 | 4.06 |
| 348.41 | 2.73 | 2.73 |
| 423.52 | 2.79 | 2.79 |
| 348.86 | 3.89 | 3.89 |
| 234.26 | 2.86 | 2.86 |
| 358.37 | 5.39 | 5.39 |
| 294.35 | 3.82 | 3.82 |
| 346.38 | 1.90 | 1.90 |
| 457.52 | 4.17 | 4.17 |
| 284.39 | 3.27 | 3.27 |
| 297.40 | 2.58 | 2.58 |
| 377.48 | 5.21 | 5.21 |
| 348.24 | 3.55 | 3.55 |
| 376.39 | 2.68 | 2.68 |
| 204.27 | 3.00 | 3.00 |
| 370.45 | 4.07 | 4.07 |
| 286.36 | 4.46 | 4.46 |
| 258.27 | 2.97 | 2.97 |
| 338.39 | 3.54 | 3.54 |
| 352.23 | 4.15 | 4.15 |
| 351.39 | 4.24 | 4.24 |
| 257.36 | 3.26 | 3.26 |
| 382.90 | 4.46 | 4.46 |
| 327.38 | 3.71 | 3.71 |
| 235.31 | 2.65 | 2.65 |
| 443.64 | 5.01 | 5.01 |
| 419.49 | 3.42 | 3.42 |
| 418.43 | 1.31 | 1.31 |
| 276.75 | 4.43 | 4.43 |
| 339.46 | 3.17 | 3.17 |
| 360.21 | 3.85 | 3.85 |
| 329.43 | 3.52 | 3.52 |
| 433.31 | 1.57 | 1.57 |
| 427.53 | 5.07 | 5.07 |
| 335.37 | 3.52 | 3.52 |
| 361.42 | 2.08 | 2.08 |
| 386.45 | 4.79 | 4.79 |
| 346.41 | 5.21 | 5.21 |
| 334.44 | 5.11 | 5.11 |
| 287.26 | 3.84 | 3.84 |
| 242.32 | 3.34 | 3.34 |
| 451.57 | 4.06 | 4.06 |
| 358.24 | 1.46 | 1.46 |
| 309.37 | 3.30 | 3.30 |
| 407.52 | 3.45 | 3.45 |
| 441.55 | 2.70 | 2.70 |
| 404.17 | 3.53 | 3.53 |
| 487.58 | 2.70 | 2.70 |
| 426.50 | -1.40 | -1.40 |
| 384.44 | 4.36 | 4.36 |
| 248.35 | 3.37 | 3.37 |
| 260.30 | 3.16 | 3.16 |
| 437.57 | 4.78 | 4.78 |
| 323.39 | 3.37 | 3.37 |
| 419.34 | 4.69 | 4.69 |
| 291.39 | 3.59 | 3.59 |
| 256.72 | 2.09 | 2.09 |
| 441.44 | 0.52 | 0.52 |
| 346.43 | 4.12 | 4.12 |
| 222.29 | 1.94 | 1.94 |
| 406.28 | 3.35 | 3.35 |
| 255.25 | 3.84 | 3.84 |
| 269.35 | 1.86 | 1.86 |
| 431.88 | 5.48 | 5.48 |
| 334.38 | 3.57 | 3.57 |
| 390.40 | 2.69 | 2.69 |
| 382.44 | 3.57 | 3.57 |
| 412.50 | 2.66 | 2.66 |
| 394.38 | 4.34 | 4.34 |
| 186.21 | 2.19 | 2.19 |
| 497.57 | 3.28 | 3.28 |
| 271.28 | 4.11 | 4.11 |
| 336.39 | 4.33 | 4.33 |
| 304.39 | 2.35 | 2.35 |
| 220.27 | 0.97 | 0.97 |
| 610.46 | 6.76 | 6.76 |
| 357.41 | 4.44 | 4.44 |
| 232.24 | 2.25 | 2.25 |
| 395.29 | 3.49 | 3.49 |
| 203.28 | 2.49 | 2.49 |
| 243.31 | 2.84 | 2.84 |
| 391.41 | 2.36 | 2.36 |
| 232.67 | 2.99 | 2.99 |
| 406.42 | 2.86 | 2.86 |
| 284.41 | 4.39 | 4.39 |
| 172.23 | 2.29 | 2.29 |
| 353.42 | 2.62 | 2.62 |
| 358.42 | 2.48 | 2.48 |
| 375.31 | 3.84 | 3.84 |
| 312.71 | 2.82 | 2.82 |
| 346.39 | 4.02 | 4.02 |
| 340.41 | 3.01 | 3.01 |
| 455.62 | 4.06 | 4.06 |
| 315.34 | 3.37 | 3.37 |
| 202.24 | 1.89 | 1.89 |
| 361.47 | 2.08 | 2.08 |
| 301.42 | 3.91 | 3.91 |
| 405.43 | 3.13 | 3.13 |
| 364.49 | 4.14 | 4.14 |
| 218.28 | 2.72 | 2.72 |
| 330.46 | 2.94 | 2.94 |
| 379.44 | 5.07 | 5.07 |
| 309.33 | 3.80 | 3.80 |
| 417.94 | 5.10 | 5.10 |
| 409.49 | 5.19 | 5.19 |
| 343.41 | 2.32 | 2.32 |
| 443.50 | 3.91 | 3.91 |
| 374.40 | 4.11 | 4.11 |
| 385.49 | 3.11 | 3.11 |
| 280.30 | 3.56 | 3.56 |
| 361.23 | 5.39 | 5.39 |
| 382.51 | 3.42 | 3.42 |
| 490.57 | 5.43 | 5.43 |
| 286.74 | 2.05 | 2.05 |
| 316.79 | 3.11 | 3.11 |
| 353.42 | 2.34 | 2.34 |
| 344.23 | 4.93 | 4.93 |
| 217.23 | 0.70 | 0.70 |
| 421.45 | 2.94 | 2.94 |
| 366.42 | 4.47 | 4.47 |
| 403.38 | 2.43 | 2.43 |
| 272.26 | 2.86 | 2.86 |
| 350.49 | 4.00 | 4.00 |
| 233.31 | 3.22 | 3.22 |
| 344.32 | 3.36 | 3.36 |
| 278.34 | 2.12 | 2.12 |
| 331.84 | 5.23 | 5.23 |
| 387.51 | 2.79 | 2.79 |
| 335.79 | 4.15 | 4.15 |
| 398.47 | 2.99 | 2.99 |
| 360.21 | 3.64 | 3.64 |
| 296.36 | 2.78 | 2.78 |
| 329.83 | 4.19 | 4.19 |
| 352.49 | 2.38 | 2.38 |
| 445.42 | 4.94 | 4.94 |
| 407.50 | 3.31 | 3.31 |
| 356.04 | 5.29 | 5.29 |
| 431.49 | 2.52 | 2.52 |
| 315.35 | 3.52 | 3.52 |
| 344.76 | 2.66 | 2.66 |
| 441.92 | 4.02 | 4.02 |
| 414.93 | 4.05 | 4.05 |
| 380.35 | 3.88 | 3.88 |
| 321.34 | 3.35 | 3.35 |
| 274.36 | 3.02 | 3.02 |
| 266.30 | 2.70 | 2.70 |
| 420.60 | 4.34 | 4.34 |
| 283.28 | 3.50 | 3.50 |
| 380.08 | 3.81 | 3.81 |
| 274.24 | 1.96 | 1.96 |
| 340.38 | 3.12 | 3.12 |
| 484.56 | 3.12 | 3.12 |
| 203.28 | 3.12 | 3.12 |
| 341.42 | 4.57 | 4.57 |
| 318.38 | 3.85 | 3.85 |
| 429.90 | 4.27 | 4.27 |
| 285.30 | 2.26 | 2.26 |
| 296.33 | 3.47 | 3.47 |
| 309.36 | 2.83 | 2.83 |
| 289.38 | 1.78 | 1.78 |
| 395.55 | 4.01 | 4.01 |
| 318.60 | 3.10 | 3.10 |
| 341.77 | 2.88 | 2.88 |
| 319.37 | 3.05 | 3.05 |
| 298.37 | 4.27 | 4.27 |
| 290.39 | 3.56 | 3.56 |
| 277.32 | 0.39 | 0.39 |
| 456.54 | 3.73 | 3.73 |
| 300.38 | 2.40 | 2.40 |
| 307.15 | 3.40 | 3.40 |
| 239.34 | 2.57 | 2.57 |
| 391.52 | 5.44 | 5.44 |
| 354.37 | 4.05 | 4.05 |
| 412.49 | 4.31 | 4.31 |
| 336.35 | 3.79 | 3.79 |
| 282.30 | 2.79 | 2.79 |
| 261.32 | 2.56 | 2.56 |
| 319.29 | 3.97 | 3.97 |
| 272.64 | 3.17 | 3.17 |
| 241.29 | 1.93 | 1.93 |
| 370.23 | 1.85 | 1.85 |
| 232.24 | 0.62 | 0.62 |
| 359.88 | 4.16 | 4.16 |
| 317.47 | 4.15 | 4.15 |
| 370.39 | 2.61 | 2.61 |
| 343.41 | 2.06 | 2.06 |
| 332.45 | 3.70 | 3.70 |
| 392.48 | 4.66 | 4.66 |
| 313.42 | 3.38 | 3.38 |
| 315.35 | 2.67 | 2.67 |
| 366.47 | 4.05 | 4.05 |
| 346.41 | 1.96 | 1.96 |
| 310.28 | 2.28 | 2.28 |
| 451.55 | 3.12 | 3.12 |
| 444.49 | 5.56 | 5.56 |
| 311.34 | 2.11 | 2.11 |
| 222.25 | 2.79 | 2.79 |
| 373.41 | 2.78 | 2.78 |
| 516.64 | 2.78 | 2.78 |
| 262.31 | 1.71 | 1.71 |
| 254.25 | 2.52 | 2.52 |
| 322.36 | 3.81 | 3.81 |
| 394.52 | 3.90 | 3.90 |
| 388.49 | 3.43 | 3.43 |
| 312.35 | 3.62 | 3.62 |
| 336.35 | 3.10 | 3.10 |
| 376.48 | 4.27 | 4.27 |
| 288.31 | 2.24 | 2.24 |
| 271.11 | 2.37 | 2.37 |
| 229.28 | 3.66 | 3.66 |
| 468.99 | 4.66 | 4.66 |
| 321.85 | 3.78 | 3.78 |
| 262.33 | 2.40 | 2.40 |
| 320.35 | 2.92 | 2.92 |
| 251.35 | 2.32 | 2.32 |
| 320.35 | 3.25 | 3.25 |
| 323.13 | 4.12 | 4.12 |
| 285.34 | 2.51 | 2.51 |
| 387.32 | 3.96 | 3.96 |
| 359.39 | 4.97 | 4.97 |
| 300.41 | 3.97 | 3.97 |
| 301.41 | 3.57 | 3.57 |
| 294.35 | 3.11 | 3.11 |
| 301.20 | 3.82 | 3.82 |
| 249.22 | 3.37 | 3.37 |
| 230.26 | 2.73 | 2.73 |
| 446.89 | 4.14 | 4.14 |
| 410.52 | 2.36 | 2.36 |
| 259.30 | 1.08 | 1.08 |
| 517.63 | 3.13 | 3.13 |
| 386.45 | 3.87 | 3.87 |
| 264.28 | 1.72 | 1.72 |
| 476.31 | 3.32 | 3.32 |
| 246.27 | 2.08 | 2.08 |
| 554.02 | 2.97 | 2.97 |
| 405.91 | 6.46 | 6.46 |
| 291.40 | 4.99 | 4.99 |
| 380.45 | 2.29 | 2.29 |
| 314.77 | 4.09 | 4.09 |
| 393.54 | 5.19 | 5.19 |
| 489.84 | 4.48 | 4.48 |
| 330.77 | 4.29 | 4.29 |
| 329.38 | 3.14 | 3.14 |
| 305.36 | 2.01 | 2.01 |
| 476.55 | 3.95 | 3.95 |
| 148.17 | 0.85 | 0.85 |
| 424.89 | 4.11 | 4.11 |
| 461.56 | 3.40 | 3.40 |
| 355.39 | 3.69 | 3.69 |
| 323.40 | 4.74 | 4.74 |
| 282.25 | 2.94 | 2.94 |
| 268.70 | 2.92 | 2.92 |
| 445.57 | 2.61 | 2.61 |
| 295.75 | 3.20 | 3.20 |
| 291.82 | 3.83 | 3.83 |
| 261.29 | 0.84 | 0.84 |
| 330.41 | 3.24 | 3.24 |
| 252.32 | 2.93 | 2.93 |
| 449.35 | 2.79 | 2.79 |
| 259.31 | 1.12 | 1.12 |
| 262.26 | 2.25 | 2.25 |
| 343.84 | 3.83 | 3.83 |
| 469.50 | 4.02 | 4.02 |
| 295.34 | 2.32 | 2.32 |
| 381.27 | 4.62 | 4.62 |
| 448.93 | 3.52 | 3.52 |
| 469.56 | 3.81 | 3.81 |
| 323.39 | 4.18 | 4.18 |
| 372.38 | 2.50 | 2.50 |
| 440.53 | 3.42 | 3.42 |
| 351.41 | 3.04 | 3.04 |
| 372.38 | 4.52 | 4.52 |
| 805.01 | 5.21 | 5.21 |
| 307.63 | 3.85 | 3.85 |
| 280.36 | 1.96 | 1.96 |
| 353.45 | 4.05 | 4.05 |