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ZINC Item

Suppliers, Protomers, & Similar Substances

5780425

Analogs

5780426

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-acetylphenyl)-2-(5-chlorobenzothiazol-2-yl)sulfanyl-propanamide N-(3-acetylphenyl)-2-(5-chlorobe…

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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)	4.79	-1.41	-16.54	1	4	0	59	390.917	5	↓ MOL2 SDF SMILES Flexibase

5780426

Analogs

5780425

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-acetylphenyl)-2-(5-chlorobenzothiazol-2-yl)sulfanyl-propanamide N-(3-acetylphenyl)-2-(5-chlorobe…

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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)	4.79	-1.42	-16.71	1	4	0	59	390.917	5	↓ MOL2 SDF SMILES Flexibase

5780429

Analogs

5780597

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(3-fluorophenyl)-acetamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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)	4.69	7.88	-9.02	1	3	0	42	352.843	4	↓ MOL2 SDF SMILES Flexibase

5780430

Analogs

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Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(2-methyl-6-nitro-phenyl)-acetamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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)	4.86	-1.14	-11.37	1	6	0	87	393.877	5	↓ MOL2 SDF SMILES Flexibase

5780432

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(2,5-difluorophenyl)-acetamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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)	4.80	-0.91	-12.14	1	3	0	41	370.833	4	↓ MOL2 SDF SMILES Flexibase

5780448

Analogs

44625817

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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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)	5.10	-0.75	-19.97	1	5	0	68	406.916	6	↓ MOL2 SDF SMILES Flexibase

5780483

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(2-fluorophenyl)-acetamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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)	4.37	1.35	-16.52	0	4	0	56	405.907	6	↓ MOL2 SDF SMILES Flexibase

5780498

Analogs

5780499

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(2-fluorophenyl)-propanamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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	-1.1	-7.5	1	3	0	41	366.87	4	↓ MOL2 SDF SMILES Flexibase

5780499

Analogs

5780498

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(2-fluorophenyl)-propanamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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	-1.11	-7.63	1	3	0	41	366.87	4	↓ MOL2 SDF SMILES Flexibase

5780502

Analogs

5780503

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(3-cyanophenyl)-propanamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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)	4.64	-0.51	-13.51	1	4	0	65	373.89	4	↓ MOL2 SDF SMILES Flexibase

5780503

Analogs

5780502

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(3-cyanophenyl)-propanamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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)	4.64	-0.53	-13.28	1	4	0	65	373.89	4	↓ MOL2 SDF SMILES Flexibase

5780515

Analogs

5780516

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(2-methoxyphenyl)-propanamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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)	4.92	-1.74	-8.45	1	4	0	51	378.906	5	↓ MOL2 SDF SMILES Flexibase

5780516

Analogs

5780515

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(2-methoxyphenyl)-propanamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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)	4.92	-1.75	-8.44	1	4	0	51	378.906	5	↓ MOL2 SDF SMILES Flexibase

5780544

Analogs

5780545

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(5-chlorobenzothiazol-2-yl)sulfanylpropanoylamino]benzamide 4-[2-(5-chlorobenzothiazol-2-yl)…

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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)	3.73	-4.58	-16.44	3	5	0	85	391.905	5	↓ MOL2 SDF SMILES Flexibase

5780545

Analogs

5780544

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(5-chlorobenzothiazol-2-yl)sulfanylpropanoylamino]benzamide 4-[2-(5-chlorobenzothiazol-2-yl)…

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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)	3.73	-4.61	-13.23	3	5	0	85	391.905	5	↓ MOL2 SDF SMILES Flexibase

5780559

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-[2-(cyanomethylsulfanyl)phenyl]-acetamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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)	4.72	-1.43	-16.52	1	4	0	65	405.957	6	↓ MOL2 SDF SMILES Flexibase

5780568

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(2,3-dimethylphenyl)-acetamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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	-1.66	-12.78	1	3	0	41	362.907	4	↓ MOL2 SDF SMILES Flexibase

5780569

Analogs

1230692
3099352

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(3,4-dichlorophenyl)-acetamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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)	5.83	8.79	-9.02	1	3	0	42	403.743	4	↓ MOL2 SDF SMILES Flexibase

5780571

Analogs

5780601
554290

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(2,6-dimethylphenyl)-acetamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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)	4.41	-1.54	-8.8	1	3	0	41	362.907	4	↓ MOL2 SDF SMILES Flexibase

5780575

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(3-cyanophenyl)-acetamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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)	4.28	-1.05	-18.29	1	4	0	65	359.863	4	↓ MOL2 SDF SMILES Flexibase

5780579

Analogs

5780601
554290

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(2-ethylphenyl)-acetamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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)	5.42	-1.66	-12.03	1	3	0	41	362.907	5	↓ MOL2 SDF SMILES Flexibase

5780584

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(2,5-dimethylphenyl)-acetamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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)	5.38	-1.57	-12.7	1	3	0	41	362.907	4	↓ MOL2 SDF SMILES Flexibase

5780585

Analogs

5780601

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(5-chlorobenzothiazol-2-yl)sulfanylacetyl]aminobenzamide 4-[2-(5-chlorobenzothiazol-2-yl)…

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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)	3.37	4.64	-14.02	3	5	0	85	377.878	5	↓ MOL2 SDF SMILES Flexibase

5780586

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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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)	4.72	-1.25	-12.1	1	5	0	68	392.889	6	↓ MOL2 SDF SMILES Flexibase

5780587

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(2-isopropyl-6-methyl-phenyl)-acetamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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)	5.00	-1	-8.42	1	3	0	41	390.961	5	↓ MOL2 SDF SMILES Flexibase

5780588

Analogs

2225301

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)-acetamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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)	4.82	10.12	-8.84	1	3	0	42	376.934	4	↓ MOL2 SDF SMILES Flexibase

5780589

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(2,6-dichlorophenyl)-acetamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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)	5.81	-2.28	-9.48	1	3	0	41	403.743	4	↓ MOL2 SDF SMILES Flexibase

5780597

Analogs

6363178
88659
1230692

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[2-(5-chlorobenzothiazol-2-yl)sulfanylacetyl]aminophenyl]acetamide N-[4-[2-(5-chlorobenzothiazol-2-…

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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)	3.77	6.72	-17.72	2	5	0	71	391.905	5	↓ MOL2 SDF SMILES Flexibase

5780599

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(2-fluoro-5-nitro-phenyl)-acetamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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)	4.60	-1.13	-16.63	1	6	0	87	397.84	5	↓ MOL2 SDF SMILES Flexibase

5780600

Analogs

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Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(2-methoxy-4-nitro-phenyl)-acetamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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)	4.49	-1.78	-14.37	1	7	0	97	409.876	6	↓ MOL2 SDF SMILES Flexibase

5780601

Analogs

10964312
13118028
3423376
2742764
5780579

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(5-chlorobenzothiazol-2-yl)sulfanylacetyl]aminobenzamide 2-[2-(5-chlorobenzothiazol-2-yl)…

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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)	3.32	5.05	-12.35	3	5	0	85	377.878	5	↓ MOL2 SDF SMILES Flexibase

20894834

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[2-(methyl-phenyl-amino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide N-[2-[2-(methyl-phenyl-amino)-2-…

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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)	4.17	8.85	-20.62	1	5	0	62	385.514	6	↓ MOL2 SDF SMILES Flexibase

20894837

Analogs

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Popular Name: N-(2-((2-(methyl(phenyl)amino)-2-oxoethyl)thio)benzo[d]thiazol-6-yl)butyramide N-(2-((2-(methyl(phenyl)amino)-2…

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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)	4.73	9.61	-20.35	1	5	0	62	399.541	7	↓ MOL2 SDF SMILES Flexibase

20894840

Analogs

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Popular Name: N-(2-((2-(methyl(phenyl)amino)-2-oxoethyl)thio)benzo[d]thiazol-6-yl)isobutyramide N-(2-((2-(methyl(phenyl)amino)-2…

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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)	4.42	9.52	-19.97	1	5	0	62	399.541	6	↓ MOL2 SDF SMILES Flexibase

20894843

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[2-(methyl-phenyl-amino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]pentanamide N-[2-[2-(methyl-phenyl-amino)-2-…

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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)	5.24	10.39	-20.46	1	5	0	62	413.568	8	↓ MOL2 SDF SMILES Flexibase

20894846

Analogs

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Popular Name: 3-methyl-N-(2-((2-(methyl(phenyl)amino)-2-oxoethyl)thio)benzo[d]thiazol-6-yl)butanamide 3-methyl-N-(2-((2-(methyl(phenyl…

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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)	4.95	10.21	-19.75	1	5	0	62	413.568	7	↓ MOL2 SDF SMILES Flexibase

20894878

Analogs

33000435

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Popular Name: N-(2-((2-oxo-2-(o-tolylamino)ethyl)thio)benzo[d]thiazol-6-yl)isobutyramide N-(2-((2-oxo-2-(o-tolylamino)eth…

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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)	4.57	8.49	-21.33	2	5	0	71	399.541	6	↓ MOL2 SDF SMILES Flexibase

20894881

Analogs

20716056
20716060

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Popular Name: N-(2-((2-oxo-2-(o-tolylamino)ethyl)thio)benzo[d]thiazol-6-yl)pentanamide N-(2-((2-oxo-2-(o-tolylamino)eth…

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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)	5.39	9.38	-21.86	2	5	0	71	413.568	8	↓ MOL2 SDF SMILES Flexibase

20894884

Analogs

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Popular Name: 3-methyl-N-(2-((2-oxo-2-(o-tolylamino)ethyl)thio)benzo[d]thiazol-6-yl)butanamide 3-methyl-N-(2-((2-oxo-2-(o-tolyl…

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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)	5.10	9.19	-21	2	5	0	71	413.568	7	↓ MOL2 SDF SMILES Flexibase

20894891

Analogs

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Popular Name: 2-ethyl-N-(2-((2-oxo-2-(o-tolylamino)ethyl)thio)benzo[d]thiazol-6-yl)butanamide 2-ethyl-N-(2-((2-oxo-2-(o-tolyla…

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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)	5.58	9.71	-21.05	2	5	0	71	427.595	8	↓ MOL2 SDF SMILES Flexibase

20894960

Analogs

34856481

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Popular Name: N-(2-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)benzo[d]thiazol-6-yl)propionamide N-(2-((2-((3-methoxyphenyl)amino…

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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)	3.96	6.32	-22.03	2	6	0	80	401.513	7	↓ MOL2 SDF SMILES Flexibase

20894962

Analogs

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Popular Name: N-[2-[2-[(3-methoxyphenyl)amino]-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide N-[2-[2-[(3-methoxyphenyl)amino]…

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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)	4.52	7.08	-21.82	2	6	0	80	415.54	8	↓ MOL2 SDF SMILES Flexibase

20894964

Analogs

34856481

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Popular Name: N-(2-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)benzo[d]thiazol-6-yl)isobutyramide N-(2-((2-((3-methoxyphenyl)amino…

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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)	4.21	6.99	-21.41	2	6	0	80	415.54	7	↓ MOL2 SDF SMILES Flexibase

20895010

Analogs

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Popular Name: N-(2-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)benzo[d]thiazol-6-yl)butyramide N-(2-((2-((2,4-dimethylphenyl)am…

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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)	5.31	9.24	-21.69	2	5	0	71	413.568	7	↓ MOL2 SDF SMILES Flexibase

20895012

Analogs

20895019

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Popular Name: N-(2-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)benzo[d]thiazol-6-yl)isobutyramide N-(2-((2-((2,4-dimethylphenyl)am…

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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)	5.00	9.15	-21.29	2	5	0	71	413.568	6	↓ MOL2 SDF SMILES Flexibase

20895013

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)benzo[d]thiazol-6-yl)pentanamide N-(2-((2-((2,4-dimethylphenyl)am…

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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)	5.82	10.02	-21.8	2	5	0	71	427.595	8	↓ MOL2 SDF SMILES Flexibase

20895016

Analogs

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Popular Name: N-(2-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)benzo[d]thiazol-6-yl)-3-methylbutanamide N-(2-((2-((2,4-dimethylphenyl)am…

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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)	5.53	9.85	-21.28	2	5	0	71	427.595	7	↓ MOL2 SDF SMILES Flexibase

20895019

Analogs

20895012

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)benzo[d]thiazol-6-yl)pivalamide N-(2-((2-((2,4-dimethylphenyl)am…

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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)	5.58	9.71	-21.12	2	5	0	71	427.595	6	↓ MOL2 SDF SMILES Flexibase

20895025

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)benzo[d]thiazol-6-yl)-2-ethylbutanamide N-(2-((2-((2,4-dimethylphenyl)am…

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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)	6.00	10.33	-21.22	2	5	0	71	441.622	8	↓ MOL2 SDF SMILES Flexibase

13013042

Analogs

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Popular Name: 3-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]-(4-methoxyphenyl)amino]propanamide 3-[[2-[(5-chloro-1,3-benzothiazo…

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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)	3.85	6.54	-13.88	2	6	0	86	435.958	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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