UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-pyridylmethyleneamino)-4,5,6,7-tetrahydrobenzothiazol-2-amine N-(2-pyridylmethyleneamino)-4,5,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.35 -1.12 -13.1 1 4 0 50 258.35 3 ↓

Analogs

8979371
8979371
8979487
8979487
8979489
8979489

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Popular Name: N-[4-(4-phenylpiperazin-1-yl)carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-(4-phenylpiperazin-1-yl)car…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.85 -3.54 -13.61 1 6 0 65 446.576 4 ↓

Analogs

8979487
8979487
8979489
8979489
8979370
8979370

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(4-phenylpiperazin-1-yl)carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-(4-phenylpiperazin-1-yl)car…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.85 -2.86 -12.26 1 6 0 65 446.576 4 ↓

Analogs

8979373
8979373
8979491
8979491
8979493
8979493

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(2-chlorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(2-chlorophenyl)piperazi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.48 -3.53 -15.25 1 6 0 65 481.021 4 ↓

Analogs

8979491
8979491
8979493
8979493
8979372
8979372

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(2-chlorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(2-chlorophenyl)piperazi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.48 -2.47 -11.68 1 6 0 65 481.021 4 ↓

Analogs

8979375
8979375
8979494
8979494
8979496
8979496

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(3-chlorophenyl)piperazi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.51 -3.68 -13.57 1 6 0 65 481.021 4 ↓

Analogs

8979494
8979494
8979496
8979496
8979374
8979374

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(3-chlorophenyl)piperazi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.51 -2.99 -11.93 1 6 0 65 481.021 4 ↓

Analogs

8979377
8979377
8979498
8979498
8979499
8979499

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Popular Name: N-[4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(2-fluorophenyl)piperazi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.97 -3.12 -14.56 1 6 0 65 464.566 4 ↓

Analogs

8979498
8979498
8979499
8979499
8979376
8979376

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(2-fluorophenyl)piperazi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.97 -1.9 -12.59 1 6 0 65 464.566 4 ↓

Analogs

8979379
8979379
8979501
8979501
8979502
8979502

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(4-fluorophenyl)piperazi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.02 -2.8 -14.43 1 6 0 65 464.566 4 ↓

Analogs

8979501
8979501
8979502
8979502
8979378
8979378

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(4-fluorophenyl)piperazi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.02 -2.13 -13.02 1 6 0 65 464.566 4 ↓

Analogs

8979381
8979381
8979504
8979504
8979506
8979506

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(4-methoxyphenyl)piperaz…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.91 -2.82 -13.44 1 7 0 74 476.602 5 ↓

Analogs

8979504
8979504
8979506
8979506
8979380
8979380

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(4-methoxyphenyl)piperaz…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.91 -3.53 -14.98 1 7 0 74 476.602 5 ↓

Analogs

8979383
8979383
8979507
8979507
8979509
8979509

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(2-methoxyphenyl)piperaz…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.86 -2.54 -13.35 1 7 0 74 476.602 5 ↓

Analogs

8979507
8979507
8979509
8979509
8979382
8979382

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(2-methoxyphenyl)piperaz…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.86 -2.99 -14.07 1 7 0 74 476.602 5 ↓

Analogs

8979385
8979385
8979511
8979511
8979513
8979513

Draw Identity 99% 90% 80% 70%

Popular Name: 2-benzoylamino-N-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiazole-4-carboxamide 2-benzoylamino-N-(3-pyridylmethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.18 -3.15 -13.68 2 6 0 83 392.484 5 ↓
Lo Low (pH 4.5-6) 2.18 -3.04 -48.16 3 6 1 85 393.492 5 ↓

Analogs

8979511
8979511
8979513
8979513
8979384
8979384

Draw Identity 99% 90% 80% 70%

Popular Name: 2-benzoylamino-N-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiazole-4-carboxamide 2-benzoylamino-N-(3-pyridylmethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.18 -3.15 -13.65 2 6 0 83 392.484 5 ↓
Lo Low (pH 4.5-6) 2.18 -3.04 -48.16 3 6 1 85 393.492 5 ↓

Analogs

8979387
8979387
8979514
8979514
8979516
8979516

Draw Identity 99% 90% 80% 70%

Popular Name: 2-benzoylamino-N-(2-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiazole-4-carboxamide 2-benzoylamino-N-(2-pyridylmethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 -3.33 -14.5 2 6 0 83 392.484 5 ↓
Lo Low (pH 4.5-6) 2.25 -3.27 -44.93 3 6 1 85 393.492 5 ↓

Analogs

8979514
8979514
8979516
8979516
8979386
8979386

Draw Identity 99% 90% 80% 70%

Popular Name: 2-benzoylamino-N-(2-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiazole-4-carboxamide 2-benzoylamino-N-(2-pyridylmethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 -3.33 -14.64 2 6 0 83 392.484 5 ↓
Lo Low (pH 4.5-6) 2.25 -3.27 -45.69 3 6 1 85 393.492 5 ↓

Analogs

8979389
8979389
8979518
8979518
8979520
8979520
9072635
9072635
9072640
9072640

Draw Identity 99% 90% 80% 70%

Popular Name: 2-benzoylamino-N-(4-dimethylaminophenyl)-4,5,6,7-tetrahydrobenzothiazole-4-carboxamide 2-benzoylamino-N-(4-dimethylamin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.82 -1.56 -13.78 2 6 0 74 420.538 5 ↓

Analogs

8979518
8979518
8979520
8979520
9072635
9072635
9072640
9072640
8979388
8979388

Draw Identity 99% 90% 80% 70%

Popular Name: 2-benzoylamino-N-(4-dimethylaminophenyl)-4,5,6,7-tetrahydrobenzothiazole-4-carboxamide 2-benzoylamino-N-(4-dimethylamin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.82 -1.62 -13.91 2 6 0 74 420.538 5 ↓

Analogs

8979391
8979391

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Popular Name: 2-benzoylamino-N-(4-diethylamino-2-methyl-phenyl)-4,5,6,7-tetrahydrobenzothiazole-4-carboxamide 2-benzoylamino-N-(4-diethylamino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.95 -0.56 -13.9 2 6 0 74 462.619 7 ↓

Analogs

8979390
8979390

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Popular Name: 2-benzoylamino-N-(4-diethylamino-2-methyl-phenyl)-4,5,6,7-tetrahydrobenzothiazole-4-carboxamide 2-benzoylamino-N-(4-diethylamino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.95 -0.59 -13.9 2 6 0 74 462.619 7 ↓

Analogs

8979393
8979393
8979525
8979525
8979527
8979527

Draw Identity 99% 90% 80% 70%

Popular Name: 2-benzoylamino-N-(4-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiazole-4-carboxamide 2-benzoylamino-N-(4-pyridylmethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.13 -3.13 -12.8 2 6 0 83 392.484 5 ↓
Lo Low (pH 4.5-6) 2.13 -3.02 -49.69 3 6 1 85 393.492 5 ↓

Analogs

8979525
8979525
8979527
8979527
8979392
8979392

Draw Identity 99% 90% 80% 70%

Popular Name: 2-benzoylamino-N-(4-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiazole-4-carboxamide 2-benzoylamino-N-(4-pyridylmethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.13 -3.13 -12.84 2 6 0 83 392.484 5 ↓
Lo Low (pH 4.5-6) 2.13 -3.01 -49.64 3 6 1 85 393.492 5 ↓

Analogs

8979397
8979397
8979529
8979529
8979530
8979530

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(4-chlorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(4-chlorophenyl)piperazi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.53 -3.68 -13.76 1 6 0 65 481.021 4 ↓

Analogs

8979529
8979529
8979530
8979530
8979396
8979396

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(4-chlorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(4-chlorophenyl)piperazi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.53 -3.01 -12.4 1 6 0 65 481.021 4 ↓

Analogs

8979399
8979399

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(4-acetylphenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(4-acetylphenyl)piperazi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.75 -2.49 -16.53 1 7 0 82 488.613 5 ↓

Analogs

8979398
8979398

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Popular Name: N-[4-[4-(4-acetylphenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(4-acetylphenyl)piperazi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.75 -3.16 -18.8 1 7 0 82 488.613 5 ↓

Analogs

8979401
8979401
8979535
8979535
8979537
8979537

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(3-methoxyphenyl)piperaz…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.88 -2.82 -13.1 1 7 0 74 476.602 5 ↓

Analogs

8979535
8979535
8979537
8979537
8979400
8979400

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(3-methoxyphenyl)piperaz…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.88 -3.56 -15.27 1 7 0 74 476.602 5 ↓

Analogs

8979403
8979403

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[4-(4-phenylpiperazin-1-yl)carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-benzamide 4-chloro-N-[4-(4-phenylpiperazin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.53 -3.01 -11.67 1 6 0 65 481.021 4 ↓

Analogs

8979402
8979402

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[4-(4-phenylpiperazin-1-yl)carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-benzamide 4-chloro-N-[4-(4-phenylpiperazin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.53 -3.68 -12.68 1 6 0 65 481.021 4 ↓

Analogs

8979409
8979409

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Popular Name: 4-chloro-N-[4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-benzam 4-chloro-N-[4-[4-(2-fluorophenyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.65 -2.05 -11.8 1 6 0 65 499.011 4 ↓

Analogs

8979408
8979408

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-benzam 4-chloro-N-[4-[4-(2-fluorophenyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.65 -3.26 -13 1 6 0 65 499.011 4 ↓

Analogs

8979411
8979411

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Popular Name: 4-chloro-N-[4-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-benzam 4-chloro-N-[4-[4-(4-fluorophenyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.69 -2.94 -12.32 1 6 0 65 499.011 4 ↓

Analogs

8979410
8979410

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Popular Name: 4-chloro-N-[4-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-benzam 4-chloro-N-[4-[4-(4-fluorophenyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.69 -2.27 -12.66 1 6 0 65 499.011 4 ↓

Analogs

8979417
8979417

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorobenzoyl)amino-N-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiazole-4-carboxamide 2-(4-chlorobenzoyl)amino-N-(3-py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.86 -3.3 -13.04 2 6 0 83 426.929 5 ↓
Lo Low (pH 4.5-6) 2.86 -3.19 -48.29 3 6 1 85 427.937 5 ↓

Analogs

8979416
8979416

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorobenzoyl)amino-N-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiazole-4-carboxamide 2-(4-chlorobenzoyl)amino-N-(3-py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.86 -3.3 -13 2 6 0 83 426.929 5 ↓
Lo Low (pH 4.5-6) 2.86 -3.19 -48.29 3 6 1 85 427.937 5 ↓

Analogs

8979419
8979419

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorobenzoyl)amino-N-(2-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiazole-4-carboxamide 2-(4-chlorobenzoyl)amino-N-(2-py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.92 -3.48 -13.54 2 6 0 83 426.929 5 ↓
Lo Low (pH 4.5-6) 2.92 -3.42 -46.26 3 6 1 85 427.937 5 ↓

Analogs

8979418
8979418

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorobenzoyl)amino-N-(2-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiazole-4-carboxamide 2-(4-chlorobenzoyl)amino-N-(2-py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.92 -3.47 -13.85 2 6 0 83 426.929 5 ↓
Lo Low (pH 4.5-6) 2.92 -3.41 -45.24 3 6 1 85 427.937 5 ↓

Analogs

8979421
8979421
9073554
9073554
9073555
9073555

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorobenzoyl)amino-N-(4-dimethylaminophenyl)-4,5,6,7-tetrahydrobenzothiazole-4-carboxamide 2-(4-chlorobenzoyl)amino-N-(4-di…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.50 -1.71 -13.14 2 6 0 74 454.983 5 ↓

Analogs

9073554
9073554
9073555
9073555
8979420
8979420

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorobenzoyl)amino-N-(4-dimethylaminophenyl)-4,5,6,7-tetrahydrobenzothiazole-4-carboxamide 2-(4-chlorobenzoyl)amino-N-(4-di…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.50 -1.79 -13.1 2 6 0 74 454.983 5 ↓

Analogs

8979425
8979425

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorobenzoyl)amino-N-(4-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiazole-4-carboxamide 2-(4-chlorobenzoyl)amino-N-(4-py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.81 -3.28 -12.15 2 6 0 83 426.929 5 ↓
Lo Low (pH 4.5-6) 2.81 -3.17 -49.84 3 6 1 85 427.937 5 ↓

Analogs

8979424
8979424

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorobenzoyl)amino-N-(4-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiazole-4-carboxamide 2-(4-chlorobenzoyl)amino-N-(4-py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.81 -3.28 -12.17 2 6 0 83 426.929 5 ↓
Lo Low (pH 4.5-6) 2.81 -3.16 -49.87 3 6 1 85 427.937 5 ↓

Analogs

8979437
8979437

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[4-(4-phenylpiperazin-1-yl)carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-benzamide 4-methoxy-N-[4-(4-phenylpiperazi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.91 -3.5 -14.22 1 7 0 74 476.602 5 ↓

Analogs

8979435
8979435

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[4-(4-phenylpiperazin-1-yl)carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-benzamide 4-methoxy-N-[4-(4-phenylpiperazi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.91 -2.78 -12.97 1 7 0 74 476.602 5 ↓

Analogs

8979446
8979446

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-4-methoxy-benza N-[4-[4-(2-fluorophenyl)piperazi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.02 -3.07 -14.91 1 7 0 74 494.592 5 ↓

Analogs

8979445
8979445

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-4-methoxy-benza N-[4-[4-(2-fluorophenyl)piperazi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.02 -1.87 -13.19 1 7 0 74 494.592 5 ↓

Analogs

8979450
8979450

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-4-methoxy-benza N-[4-[4-(4-fluorophenyl)piperazi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.07 -2.76 -13.61 1 7 0 74 494.592 5 ↓

Parameters Provided:

ring.id = 1308
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 1308 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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