ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

11985557

Analogs

12827708
29788439
29788441
133725

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydroxy-4-methoxy-N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)benzamide 2-hydroxy-4-methoxy-N-(4,5,6,7-t…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.64	-2.34	-16.35	2	5	0	71	304.371	3	↓ MOL2 SDF SMILES Flexibase

11986203

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-5-nitro-N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)benzamide 2-methoxy-5-nitro-N-(4,5,6,7-tet…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.61	0.06	-15.77	1	7	0	97	333.369	4	↓ MOL2 SDF SMILES Flexibase

11986412

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.01	-1.94	-14.37	2	6	0	80	373.478	5	↓ MOL2 SDF SMILES Flexibase

11986629

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(ethylsulfamoyl)-2-methyl-N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)benzamide 5-(ethylsulfamoyl)-2-methyl-N-(4…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.94	-6.42	-16.1	2	6	0	88	379.507	5	↓ MOL2 SDF SMILES Flexibase

11986776

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-(2-methoxyethylsulfamoyl)-N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)benzamide 2-chloro-5-(2-methoxyethylsulfam…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.78	-7.44	-17.83	2	7	0	97	429.951	7	↓ MOL2 SDF SMILES Flexibase

20894586

Analogs

6304630
6388205

Draw Identity 99% 90% 80% 70%

Popular Name: 4-allyloxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide 4-allyloxy-N-(4,5,6,7-tetrahydro…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.82	8.58	-16.28	1	4	0	51	314.41	5	↓ MOL2 SDF SMILES Flexibase

20894590

Analogs

15832134

Draw Identity 99% 90% 80% 70%

Popular Name: 3-butoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide 3-butoxy-N-(4,5,6,7-tetrahydro-1…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.59	9.55	-18.23	1	4	0	51	330.453	6	↓ MOL2 SDF SMILES Flexibase

20897318

Analogs

20897321
20897447
20897451

Draw Identity 99% 90% 80% 70%

Popular Name: 4-allyloxy-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide 4-allyloxy-N-[(6R)-6-methyl-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.30	9.19	-15.8	1	4	0	51	328.437	5	↓ MOL2 SDF SMILES Flexibase

20897321

Analogs

20897447
20897451
20897318

Draw Identity 99% 90% 80% 70%

Popular Name: 4-allyloxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide 4-allyloxy-N-[(6S)-6-methyl-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.30	9.2	-15.8	1	4	0	51	328.437	5	↓ MOL2 SDF SMILES Flexibase

20897336

Analogs

20897339
21149720
21149724

Draw Identity 99% 90% 80% 70%

Popular Name: 3-butoxy-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide 3-butoxy-N-[(6R)-6-methyl-4,5,6,…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.07	10.15	-17.71	1	4	0	51	344.48	6	↓ MOL2 SDF SMILES Flexibase

20897339

Analogs

21149720
21149724
20897336

Draw Identity 99% 90% 80% 70%

Popular Name: 3-butoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide 3-butoxy-N-[(6S)-6-methyl-4,5,6,…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.07	10.15	-17.71	1	4	0	51	344.48	6	↓ MOL2 SDF SMILES Flexibase

20897351

Analogs

20897354
11917358
11917359

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-propoxy-benzamide N-[(6R)-6-methyl-4,5,6,7-tetrahy…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.03	10.58	-18.3	1	4	0	51	330.453	5	↓ MOL2 SDF SMILES Flexibase

20897354

Analogs

20897351
11917358

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-propoxy-benzamide N-[(6S)-6-methyl-4,5,6,7-tetrahy…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.03	10.58	-18.34	1	4	0	51	330.453	5	↓ MOL2 SDF SMILES Flexibase

20897363

Analogs

20897366
20897478
20897481

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-methoxy-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide 3-chloro-4-methoxy-N-[(6R)-6-met…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.26	8.23	-13.73	1	4	0	51	336.844	3	↓ MOL2 SDF SMILES Flexibase

20897366

Analogs

20897478
20897481
20897363

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-methoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide 3-chloro-4-methoxy-N-[(6S)-6-met…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.26	8.22	-17.95	1	4	0	51	336.844	3	↓ MOL2 SDF SMILES Flexibase

20897367

Analogs

20897370
30889842
1504739
1504742

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methyl-benzamide N-[(6R)-6-tert-butyl-4,5,6,7-tet…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.37	10.45	-14.59	1	3	0	42	328.481	3	↓ MOL2 SDF SMILES Flexibase

20897370

Analogs

30889842
20897367
1504739

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methyl-benzamide N-[(6S)-6-tert-butyl-4,5,6,7-tet…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.37	10.45	-14.58	1	3	0	42	328.481	3	↓ MOL2 SDF SMILES Flexibase

20897373

Analogs

20897376
30617626
30617627
371509
618695

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-methyl-benzamide N-[(6R)-6-tert-butyl-4,5,6,7-tet…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.35	10.45	-14.88	1	3	0	42	328.481	3	↓ MOL2 SDF SMILES Flexibase

20897376

Analogs

30617626
30617627
371509
618695

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-methyl-benzamide N-[(6S)-6-tert-butyl-4,5,6,7-tet…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.35	10.45	-14.87	1	3	0	42	328.481	3	↓ MOL2 SDF SMILES Flexibase

20897407

Analogs

20897410
11428898
11428901

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-ethoxy-benzamide N-[(6R)-6-tert-butyl-4,5,6,7-tet…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.36	10.06	-15.33	1	4	0	51	358.507	5	↓ MOL2 SDF SMILES Flexibase

20897410

Analogs

20897407
11428898

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-ethoxy-benzamide N-[(6S)-6-tert-butyl-4,5,6,7-tet…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.36	10.06	-15.33	1	4	0	51	358.507	5	↓ MOL2 SDF SMILES Flexibase

20897413

Analogs

20897416
27583445
27583450
567808
4031460

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-nitro-benzamide N-[(6R)-6-tert-butyl-4,5,6,7-tet…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.83	11.05	-22.85	1	6	0	88	359.451	4	↓ MOL2 SDF SMILES Flexibase

20897416

Analogs

27583445
27583450
567808
4031460

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-nitro-benzamide N-[(6S)-6-tert-butyl-4,5,6,7-tet…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.83	11.05	-22.9	1	6	0	88	359.451	4	↓ MOL2 SDF SMILES Flexibase

20897447

Analogs

20897451
20897318
20897321

Draw Identity 99% 90% 80% 70%

Popular Name: 4-allyloxy-N-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide 4-allyloxy-N-[(6R)-6-tert-butyl-…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.63	10.64	-15.38	1	4	0	51	370.518	6	↓ MOL2 SDF SMILES Flexibase

20897451

Analogs

20897318
20897321

Draw Identity 99% 90% 80% 70%

Popular Name: 4-allyloxy-N-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide 4-allyloxy-N-[(6S)-6-tert-butyl-…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.63	10.64	-15.37	1	4	0	51	370.518	6	↓ MOL2 SDF SMILES Flexibase

20897460

Analogs

20897463
1508300
1508304

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-fluoro-benzamide N-[(6R)-6-tert-butyl-4,5,6,7-tet…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.04	9.87	-19.3	1	3	0	42	332.444	3	↓ MOL2 SDF SMILES Flexibase

20897463

Analogs

20897460
1508300

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-fluoro-benzamide N-[(6S)-6-tert-butyl-4,5,6,7-tet…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.04	9.87	-19.26	1	3	0	42	332.444	3	↓ MOL2 SDF SMILES Flexibase

20897478

Analogs

20897481
20897363
20897366

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-chloro-4-methoxy-benzamide N-[(6R)-6-tert-butyl-4,5,6,7-tet…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.59	9.68	-13.29	1	4	0	51	378.925	4	↓ MOL2 SDF SMILES Flexibase

20897481

Analogs

20897363
20897366

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-chloro-4-methoxy-benzamide N-[(6S)-6-tert-butyl-4,5,6,7-tet…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.59	9.67	-17.57	1	4	0	51	378.925	4	↓ MOL2 SDF SMILES Flexibase

12536166

Analogs

12536167
12536288
12536289
25769157

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-(propylsulfonylamino)benzamide N-[(6R)-6-methyl-4,5,6,7-tetrahy…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.68	6.7	-26.55	2	6	0	88	393.534	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.68	6.78	-58.51	1	6	-1	90	392.526	6	↓ MOL2 SDF SMILES Flexibase

12536167

Analogs

12536288
12536289
25769157
12536166

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-(propylsulfonylamino)benzamide N-[(6S)-6-methyl-4,5,6,7-tetrahy…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.68	6.83	-17.98	2	6	0	88	393.534	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.68	6.91	-49.91	1	6	-1	90	392.526	6	↓ MOL2 SDF SMILES Flexibase

12536288

Analogs

12536289
25769157
12536166
12536167

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(ethylsulfonylamino)-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide 3-(ethylsulfonylamino)-N-[(6R)-6…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.18	6.04	-18.17	2	6	0	88	379.507	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.18	6.11	-49.48	1	6	-1	90	378.499	5	↓ MOL2 SDF SMILES Flexibase

12536289

Analogs

25769157
12536166
12536167
12536288

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(ethylsulfonylamino)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide 3-(ethylsulfonylamino)-N-[(6S)-6…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.18	6.04	-18.2	2	6	0	88	379.507	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.18	6.11	-49.42	1	6	-1	90	378.499	5	↓ MOL2 SDF SMILES Flexibase

949340

Analogs

25769245
31306446
36633045

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(diethylsulfamoyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide 4-(diethylsulfamoyl)-N-(4,5,6,7-…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.19	-4.78	-17.79	1	6	0	79	393.534	6	↓ MOL2 SDF SMILES Flexibase

14015744

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-5-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide 2-bromo-5-fluoro-N-(4,5,6,7-tetr…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.02	8.47	-11.72	1	3	0	42	355.232	2	↓ MOL2 SDF SMILES Flexibase

14800400

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(prop-2-ynylsulfamoyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide 3-(prop-2-ynylsulfamoyl)-N-(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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.33	5.28	-22.95	2	6	0	88	375.475	5	↓ MOL2 SDF SMILES Flexibase

62823292

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide 2-amino-4-fluoro-N-(4,5,6,7-tetr…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.70	5.96	-11.49	3	4	0	68	291.351	2	↓ MOL2 SDF SMILES Flexibase

63006230

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-3,5-difluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide 4-amino-3,5-difluoro-N-(4,5,6,7-…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.79	5.75	-12.95	3	4	0	68	309.341	2	↓ MOL2 SDF SMILES Flexibase

63011750

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4,5-trifluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide 3,4,5-trifluoro-N-(4,5,6,7-tetra…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.47	7.86	-12.46	1	3	0	42	312.316	2	↓ MOL2 SDF SMILES Flexibase

49551210

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide 3-amino-4-chloro-N-(4,5,6,7-tetr…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.21	6.14	-13.28	3	4	0	68	307.806	2	↓ MOL2 SDF SMILES Flexibase

49551212

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide 3-amino-N-(4,5,6,7-tetrahydro-1,…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.17	5.55	-14.87	3	4	0	68	273.361	2	↓ MOL2 SDF SMILES Flexibase

49551215

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide 5-amino-2-chloro-N-(4,5,6,7-tetr…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.80	6.06	-15.75	3	4	0	68	307.806	2	↓ MOL2 SDF SMILES Flexibase

49551217

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide 4-amino-N-(4,5,6,7-tetrahydro-1,…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.20	5.56	-15.45	3	4	0	68	273.361	2	↓ MOL2 SDF SMILES Flexibase

49551219

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide 2-amino-4-chloro-N-(4,5,6,7-tetr…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.21	6.41	-11.14	3	4	0	68	307.806	2	↓ MOL2 SDF SMILES Flexibase

49551221

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide 4-amino-2-chloro-N-(4,5,6,7-tetr…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.80	6.07	-16.55	3	4	0	68	307.806	2	↓ MOL2 SDF SMILES Flexibase

49551222

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-3-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide 4-amino-3-methyl-N-(4,5,6,7-tetr…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.98	6.33	-15.61	3	4	0	68	287.388	2	↓ MOL2 SDF SMILES Flexibase

49551225

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide 2-amino-5-chloro-N-(4,5,6,7-tetr…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.21	6.42	-10.49	3	4	0	68	307.806	2	↓ MOL2 SDF SMILES Flexibase

49551227

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide 3-amino-4-methoxy-N-(4,5,6,7-tet…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.59	4.98	-15.18	3	5	0	77	303.387	3	↓ MOL2 SDF SMILES Flexibase

49551228

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide 3-amino-2-methyl-N-(4,5,6,7-tetr…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.96	6.35	-13.53	3	4	0	68	287.388	2	↓ MOL2 SDF SMILES Flexibase

49551235

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide 3-amino-4-methyl-N-(4,5,6,7-tetr…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.98	6.31	-14.78	3	4	0	68	287.388	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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