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ZINC Item

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13792605

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2S)-N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2S)-N-(6-chloro-3-methyl-1,3…

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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)	3.62	5.83	-13.4	0	6	0	72	387.914	2	↓ MOL2 SDF SMILES Flexibase

13792607

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2R)-N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2R)-N-(6-chloro-3-methyl-1,3…

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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)	3.62	5.84	-13.46	0	6	0	72	387.914	2	↓ MOL2 SDF SMILES Flexibase

13792669

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2S)-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2S)-N-(4-methoxy-3-methyl-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)	2.98	4.88	-15.64	0	7	0	81	383.495	3	↓ MOL2 SDF SMILES Flexibase

13792671

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2R)-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2R)-N-(4-methoxy-3-methyl-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)	2.98	4.89	-15.58	0	7	0	81	383.495	3	↓ MOL2 SDF SMILES Flexibase

13792737

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2S)-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2S)-N-(6-methoxy-3-methyl-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)	3.00	4.59	-15.4	0	7	0	81	383.495	3	↓ MOL2 SDF SMILES Flexibase

13792739

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2R)-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2R)-N-(6-methoxy-3-methyl-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)	3.00	4.6	-15.41	0	7	0	81	383.495	3	↓ MOL2 SDF SMILES Flexibase

13794165

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2S)-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2S)-N-(3-methyl-6-nitro-1,3-…

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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)	2.90	5.98	-15.69	0	9	0	118	398.466	3	↓ MOL2 SDF SMILES Flexibase

13794168

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2R)-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2R)-N-(3-methyl-6-nitro-1,3-…

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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)	2.90	5.99	-15.72	0	9	0	118	398.466	3	↓ MOL2 SDF SMILES Flexibase

13794171

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2S)-N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2S)-N-(6-bromo-3-methyl-1,3-…

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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)	3.75	5.94	-13.29	0	6	0	72	432.365	2	↓ MOL2 SDF SMILES Flexibase

13794174

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2R)-N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2R)-N-(6-bromo-3-methyl-1,3-…

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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)	3.75	5.94	-13.33	0	6	0	72	432.365	2	↓ MOL2 SDF SMILES Flexibase

13794195

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2S)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2S)-N-(6-fluoro-3-methyl-1,3…

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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)	3.11	5.38	-13.83	0	6	0	72	371.459	2	↓ MOL2 SDF SMILES Flexibase

13794198

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2R)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2R)-N-(6-fluoro-3-methyl-1,3…

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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)	3.11	5.38	-13.87	0	6	0	72	371.459	2	↓ MOL2 SDF SMILES Flexibase

13794213

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2S)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2S)-N-(3-ethyl-4-methoxy-1,3…

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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)	3.35	5.76	-15.49	0	7	0	81	397.522	4	↓ MOL2 SDF SMILES Flexibase

13794216

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2R)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2R)-N-(3-ethyl-4-methoxy-1,3…

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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)	3.35	5.77	-15.52	0	7	0	81	397.522	4	↓ MOL2 SDF SMILES Flexibase

13794219

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2S)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2S)-N-(4-ethoxy-3-ethyl-1,3-…

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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	6.7	-15.17	0	7	0	81	411.549	5	↓ MOL2 SDF SMILES Flexibase

13794222

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2R)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2R)-N-(4-ethoxy-3-ethyl-1,3-…

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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	6.7	-15.13	0	7	0	81	411.549	5	↓ MOL2 SDF SMILES Flexibase

13794225

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2S)-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2S)-N-(6-ethoxy-3-ethyl-1,3-…

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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)	3.75	6.39	-14.88	0	7	0	81	411.549	5	↓ MOL2 SDF SMILES Flexibase

13794228

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2R)-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2R)-N-(6-ethoxy-3-ethyl-1,3-…

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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)	3.75	6.42	-15.22	0	7	0	81	411.549	5	↓ MOL2 SDF SMILES Flexibase

13794231

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2S)-N-(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2S)-N-(3-ethyl-6-methoxy-1,3…

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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)	3.38	5.47	-15.15	0	7	0	81	397.522	4	↓ MOL2 SDF SMILES Flexibase

13794234

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2R)-N-(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2R)-N-(3-ethyl-6-methoxy-1,3…

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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)	3.38	5.49	-15.14	0	7	0	81	397.522	4	↓ MOL2 SDF SMILES Flexibase

13794237

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2S)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2S)-N-(4-chloro-3-methyl-1,3…

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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)	3.60	5.68	-13.98	0	6	0	72	387.914	2	↓ MOL2 SDF SMILES Flexibase

13794239

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2R)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2R)-N-(4-chloro-3-methyl-1,3…

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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)	3.60	5.66	-14.04	0	6	0	72	387.914	2	↓ MOL2 SDF SMILES Flexibase

13794248

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2S)-N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2S)-N-(6-chloro-3-ethyl-1,3-…

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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)	4.00	6.69	-13.14	0	6	0	72	401.941	3	↓ MOL2 SDF SMILES Flexibase

13794251

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2R)-N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2R)-N-(6-chloro-3-ethyl-1,3-…

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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)	4.00	6.72	-13.14	0	6	0	72	401.941	3	↓ MOL2 SDF SMILES Flexibase

13794254

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2S)-N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2S)-N-(6-bromo-3-ethyl-1,3-b…

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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)	4.13	6.79	-13.03	0	6	0	72	446.392	3	↓ MOL2 SDF SMILES Flexibase

13794257

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2R)-N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2R)-N-(6-bromo-3-ethyl-1,3-b…

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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)	4.13	6.82	-12.99	0	6	0	72	446.392	3	↓ MOL2 SDF SMILES Flexibase

13794260

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2S)-N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2S)-N-(3-ethyl-6-methyl-1,3-…

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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	6.84	-14.29	0	6	0	72	381.523	3	↓ MOL2 SDF SMILES Flexibase

13794263

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2R)-N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2R)-N-(3-ethyl-6-methyl-1,3-…

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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	6.87	-14.58	0	6	0	72	381.523	3	↓ MOL2 SDF SMILES Flexibase

13794266

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2S)-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2S)-N-(3-ethyl-6-nitro-1,3-b…

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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)	3.28	6.86	-15.29	0	9	0	118	412.493	4	↓ MOL2 SDF SMILES Flexibase

13794269

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2R)-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2R)-N-(3-ethyl-6-nitro-1,3-b…

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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)	3.28	6.88	-15.26	0	9	0	118	412.493	4	↓ MOL2 SDF SMILES Flexibase

13794272

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2S)-N-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2S)-N-(3-ethyl-1,3-benzothia…

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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)	3.34	6.19	-14.71	0	6	0	72	367.496	3	↓ MOL2 SDF SMILES Flexibase

13794275

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2R)-N-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2R)-N-(3-ethyl-1,3-benzothia…

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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)	3.34	6.22	-15.08	0	6	0	72	367.496	3	↓ MOL2 SDF SMILES Flexibase

13794278

Analogs

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Popular Name: (NZ,2S)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2S)-N-(3-ethyl-6-fluoro-1,3-…

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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)	3.48	6.23	-13.5	0	6	0	72	385.486	3	↓ MOL2 SDF SMILES Flexibase

13794281

Analogs

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Popular Name: (NZ,2R)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2R)-N-(3-ethyl-6-fluoro-1,3-…

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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)	3.48	6.26	-13.56	0	6	0	72	385.486	3	↓ MOL2 SDF SMILES Flexibase

13794284

Analogs

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Popular Name: ethyl ethyl

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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)	3.87	7.74	-16.15	0	8	0	98	439.559	6	↓ MOL2 SDF SMILES Flexibase

13794287

Analogs

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Popular Name: ethyl ethyl

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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)	3.87	7.78	-16.54	0	8	0	98	439.559	6	↓ MOL2 SDF SMILES Flexibase

13794302

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)	3.12	5.95	-16.92	0	8	0	98	411.505	4	↓ MOL2 SDF SMILES Flexibase

13794305

Analogs

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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)	3.12	5.96	-16.91	0	8	0	98	411.505	4	↓ MOL2 SDF SMILES Flexibase

13794308

Analogs

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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)	3.49	6.83	-16.62	0	8	0	98	425.532	5	↓ MOL2 SDF SMILES Flexibase

13794311

Analogs

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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)	3.49	6.86	-16.88	0	8	0	98	425.532	5	↓ MOL2 SDF SMILES Flexibase

13794325

Analogs

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Popular Name: (NZ,2S)-N-(4,5-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxami (NZ,2S)-N-(4,5-dichloro-3-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)	4.23	6.13	-12.51	0	6	0	72	422.359	2	↓ MOL2 SDF SMILES Flexibase

13794328

Analogs

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Popular Name: (NZ,2R)-N-(4,5-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxami (NZ,2R)-N-(4,5-dichloro-3-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)	4.23	6.11	-12.52	0	6	0	72	422.359	2	↓ MOL2 SDF SMILES Flexibase

13794343

Analogs

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Popular Name: (NZ,2S)-N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxami (NZ,2S)-N-(4,7-dichloro-3-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)	4.23	6.18	-13.3	0	6	0	72	422.359	2	↓ MOL2 SDF SMILES Flexibase

13794346

Analogs

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Popular Name: (NZ,2R)-N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxami (NZ,2R)-N-(4,7-dichloro-3-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)	4.23	6.19	-13.33	0	6	0	72	422.359	2	↓ MOL2 SDF SMILES Flexibase

13794363

Analogs

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Popular Name: (NZ,2S)-N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxam (NZ,2S)-N-(4,7-dimethoxy-3-methy…

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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)	2.99	4.15	-17.53	0	8	0	90	413.521	4	↓ MOL2 SDF SMILES Flexibase

13794365

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2R)-N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxam (NZ,2R)-N-(4,7-dimethoxy-3-methy…

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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)	2.99	4.16	-17.57	0	8	0	90	413.521	4	↓ MOL2 SDF SMILES Flexibase

13794374

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2S)-N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxami (NZ,2S)-N-(3-ethyl-4,7-dimethoxy…

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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)	3.36	5.04	-17.4	0	8	0	90	427.548	5	↓ MOL2 SDF SMILES Flexibase

13794377

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2R)-N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxami (NZ,2R)-N-(3-ethyl-4,7-dimethoxy…

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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)	3.36	5.04	-17.52	0	8	0	90	427.548	5	↓ MOL2 SDF SMILES Flexibase

13794378

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2S)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamid (NZ,2S)-N-(3-ethyl-5,7-dimethyl-…

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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)	4.15	7.5	-14.47	0	6	0	72	395.55	3	↓ MOL2 SDF SMILES Flexibase

13794381

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2R)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamid (NZ,2R)-N-(3-ethyl-5,7-dimethyl-…

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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)	4.15	7.53	-14.47	0	6	0	72	395.55	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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