ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

44242956

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-bromo-3-pyridyl)sulfonylamino]cyclohexanecarboxylic 1-[(5-bromo-3-pyridyl)sulfonylam…

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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)	0.13	3.48	-52.34	1	6	-1	99	362.225	4	↓ MOL2 SDF SMILES Flexibase

44242982

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-bromo-3-pyridyl)sulfonylamino]-4-methyl-cyclohexanecarboxylic 1-[(5-bromo-3-pyridyl)sulfonylam…

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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)	-0.10	3.95	-38.34	1	6	-1	99	376.252	4	↓ MOL2 SDF SMILES Flexibase

44243021

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(5-bromo-3-pyridyl)sulfonylamino]cyclohexanecarboxylic 4-[(5-bromo-3-pyridyl)sulfonylam…

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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)	1.44	3.37	-49.93	1	6	-1	99	362.225	4	↓ MOL2 SDF SMILES Flexibase

44243087

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-1-[(5-bromo-3-pyridyl)sulfonylamino]-3-methyl-cyclohexanecarboxylic (1R,3R)-1-[(5-bromo-3-pyridyl)su…

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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)	0.14	4.12	-52.52	1	6	-1	99	376.252	4	↓ MOL2 SDF SMILES Flexibase

44243089

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-1-[(5-bromo-3-pyridyl)sulfonylamino]-3-methyl-cyclohexanecarboxylic (1R,3S)-1-[(5-bromo-3-pyridyl)su…

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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)	0.14	4.41	-52.96	1	6	-1	99	376.252	4	↓ MOL2 SDF SMILES Flexibase

44243091

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-1-[(5-bromo-3-pyridyl)sulfonylamino]-3-methyl-cyclohexanecarboxylic (1S,3R)-1-[(5-bromo-3-pyridyl)su…

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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)	0.14	4.24	-38.83	1	6	-1	99	376.252	4	↓ MOL2 SDF SMILES Flexibase

44243093

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-1-[(5-bromo-3-pyridyl)sulfonylamino]-3-methyl-cyclohexanecarboxylic (1S,3S)-1-[(5-bromo-3-pyridyl)su…

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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)	0.14	3.96	-38.4	1	6	-1	99	376.252	4	↓ MOL2 SDF SMILES Flexibase

44243095

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-[(5-bromo-3-pyridyl)sulfonylamino]-2-methyl-cyclohexanecarboxylic (1R,2R)-1-[(5-bromo-3-pyridyl)su…

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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)	0.37	3.71	-51.15	1	6	-1	99	376.252	4	↓ MOL2 SDF SMILES Flexibase

44243097

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-[(5-bromo-3-pyridyl)sulfonylamino]-2-methyl-cyclohexanecarboxylic (1R,2S)-1-[(5-bromo-3-pyridyl)su…

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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)	0.37	4.17	-53.53	1	6	-1	99	376.252	4	↓ MOL2 SDF SMILES Flexibase

44243099

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-[(5-bromo-3-pyridyl)sulfonylamino]-2-methyl-cyclohexanecarboxylic (1S,2R)-1-[(5-bromo-3-pyridyl)su…

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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)	0.37	3.98	-39.09	1	6	-1	99	376.252	4	↓ MOL2 SDF SMILES Flexibase

44243101

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-[(5-bromo-3-pyridyl)sulfonylamino]-2-methyl-cyclohexanecarboxylic (1S,2S)-1-[(5-bromo-3-pyridyl)su…

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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)	0.37	3.66	-38.17	1	6	-1	99	376.252	4	↓ MOL2 SDF SMILES Flexibase

44243162

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-(1-cyanocyclohexyl)pyridine-3-sulfonamide 5-bromo-N-(1-cyanocyclohexyl)pyr…

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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)	2.65	2.47	-9.72	1	5	0	83	344.234	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.65	2.57	-37.5	0	5	-1	85	343.226	3	↓ MOL2 SDF SMILES Flexibase

44243164

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-(1-cyano-4-methyl-cyclohexyl)pyridine-3-sulfonamide 5-bromo-N-(1-cyano-4-methyl-cycl…

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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)	2.42	2.98	-10.02	1	5	0	83	358.261	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.42	3.18	-37.53	0	5	-1	85	357.253	3	↓ MOL2 SDF SMILES Flexibase

44243166

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-(1-cyano-4-ethyl-cyclohexyl)pyridine-3-sulfonamide 5-bromo-N-(1-cyano-4-ethyl-cyclo…

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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	4.17	-9.12	1	5	0	83	372.288	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.11	4.38	-35.96	0	5	-1	85	371.28	4	↓ MOL2 SDF SMILES Flexibase

44243217

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-bromo-3-pyridyl)sulfonylamino]cyclohexanecarbothioamide 1-[(5-bromo-3-pyridyl)sulfonylam…

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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)	1.78	1.73	-11.09	3	5	0	85	378.317	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.78	1.9	-36.37	2	5	-1	87	377.309	4	↓ MOL2 SDF SMILES Flexibase

44243219

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-bromo-3-pyridyl)sulfonylamino]-4-methyl-cyclohexanecarbothioamide 1-[(5-bromo-3-pyridyl)sulfonylam…

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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)	1.55	2.19	-11.43	3	5	0	85	392.344	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.55	2.43	-36.82	2	5	-1	87	391.336	4	↓ MOL2 SDF SMILES Flexibase

44243414

Analogs

35648508

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-(4-hydroxycyclohexyl)pyridine-3-sulfonamide 5-bromo-N-(4-hydroxycyclohexyl)p…

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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)	1.18	-0.52	-9.41	2	5	0	79	335.223	3	↓ MOL2 SDF SMILES Flexibase

44243505

Analogs

36796953
36796954
703793

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-cyclohexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide 5-bromo-N-cyclohexyl-N-(2-hydrox…

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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)	2.41	2.18	-7.93	1	5	0	71	363.277	5	↓ MOL2 SDF SMILES Flexibase

50653719

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(methylamino)-N-[(1S,3R)-3-methylcyclohexyl]pyridine-3-sulfonamide 6-(methylamino)-N-[(1S,3R)-3-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)	2.05	2.49	-9.57	2	5	0	71	283.397	4	↓ MOL2 SDF SMILES Flexibase

50653720

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(methylamino)-N-[(1S,3S)-3-methylcyclohexyl]pyridine-3-sulfonamide 6-(methylamino)-N-[(1S,3S)-3-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)	2.05	2.73	-9.68	2	5	0	71	283.397	4	↓ MOL2 SDF SMILES Flexibase

50653723

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(methylamino)-N-[(1R,3R)-3-methylcyclohexyl]pyridine-3-sulfonamide 6-(methylamino)-N-[(1R,3R)-3-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)	2.05	2.65	-9.37	2	5	0	71	283.397	4	↓ MOL2 SDF SMILES Flexibase

50653726

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(methylamino)-N-[(1R,3S)-3-methylcyclohexyl]pyridine-3-sulfonamide 6-(methylamino)-N-[(1R,3S)-3-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)	2.05	2.41	-9.44	2	5	0	71	283.397	4	↓ MOL2 SDF SMILES Flexibase

50653729

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(ethylamino)-N-[(1R,3S)-3-methylcyclohexyl]pyridine-3-sulfonamide 6-(ethylamino)-N-[(1R,3S)-3-meth…

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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)	2.42	3.19	-8.72	2	5	0	71	297.424	5	↓ MOL2 SDF SMILES Flexibase

50653731

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(ethylamino)-N-[(1S,3S)-3-methylcyclohexyl]pyridine-3-sulfonamide 6-(ethylamino)-N-[(1S,3S)-3-meth…

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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)	2.42	3.51	-8.93	2	5	0	71	297.424	5	↓ MOL2 SDF SMILES Flexibase

50653735

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(ethylamino)-N-[(1R,3R)-3-methylcyclohexyl]pyridine-3-sulfonamide 6-(ethylamino)-N-[(1R,3R)-3-meth…

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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)	2.42	3.42	-8.57	2	5	0	71	297.424	5	↓ MOL2 SDF SMILES Flexibase

50653738

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(ethylamino)-N-[(1S,3R)-3-methylcyclohexyl]pyridine-3-sulfonamide 6-(ethylamino)-N-[(1S,3R)-3-meth…

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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)	2.42	3.27	-8.92	2	5	0	71	297.424	5	↓ MOL2 SDF SMILES Flexibase

50653742

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,3S)-3-methylcyclohexyl]-6-(propylamino)pyridine-3-sulfonamide N-[(1R,3S)-3-methylcyclohexyl]-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)	2.92	3.95	-8.44	2	5	0	71	311.451	6	↓ MOL2 SDF SMILES Flexibase

50653744

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,3S)-3-methylcyclohexyl]-6-(propylamino)pyridine-3-sulfonamide N-[(1S,3S)-3-methylcyclohexyl]-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)	2.92	4.28	-8.6	2	5	0	71	311.451	6	↓ MOL2 SDF SMILES Flexibase

50653747

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,3R)-3-methylcyclohexyl]-6-(propylamino)pyridine-3-sulfonamide N-[(1R,3R)-3-methylcyclohexyl]-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)	2.92	4.19	-8.35	2	5	0	71	311.451	6	↓ MOL2 SDF SMILES Flexibase

50653750

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,3R)-3-methylcyclohexyl]-6-(propylamino)pyridine-3-sulfonamide N-[(1S,3R)-3-methylcyclohexyl]-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)	2.92	4.04	-8.63	2	5	0	71	311.451	6	↓ MOL2 SDF SMILES Flexibase

50653796

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(methylamino)-N-[(1S,3R)-3-methylcyclohexyl]pyridine-3-sulfonamide 2-(methylamino)-N-[(1S,3R)-3-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)	1.83	3.29	-9.45	2	5	0	71	283.397	4	↓ MOL2 SDF SMILES Flexibase

50653800

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(methylamino)-N-[(1S,3S)-3-methylcyclohexyl]pyridine-3-sulfonamide 2-(methylamino)-N-[(1S,3S)-3-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)	1.83	3.53	-9.37	2	5	0	71	283.397	4	↓ MOL2 SDF SMILES Flexibase

50653804

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(methylamino)-N-[(1R,3R)-3-methylcyclohexyl]pyridine-3-sulfonamide 2-(methylamino)-N-[(1R,3R)-3-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)	1.83	3.34	-9.03	2	5	0	71	283.397	4	↓ MOL2 SDF SMILES Flexibase

50653806

Analogs

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Popular Name: 2-(methylamino)-N-[(1R,3S)-3-methylcyclohexyl]pyridine-3-sulfonamide 2-(methylamino)-N-[(1R,3S)-3-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)	1.83	3.12	-9.32	2	5	0	71	283.397	4	↓ MOL2 SDF SMILES Flexibase

50653810

Analogs

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Popular Name: 2-(ethylamino)-N-[(1R,3S)-3-methylcyclohexyl]pyridine-3-sulfonamide 2-(ethylamino)-N-[(1R,3S)-3-meth…

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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	3.93	-8.82	2	5	0	71	297.424	5	↓ MOL2 SDF SMILES Flexibase

50653813

Analogs

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Popular Name: 2-(ethylamino)-N-[(1S,3S)-3-methylcyclohexyl]pyridine-3-sulfonamide 2-(ethylamino)-N-[(1S,3S)-3-meth…

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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	4.34	-9.1	2	5	0	71	297.424	5	↓ MOL2 SDF SMILES Flexibase

50653816

Analogs

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Popular Name: 2-(ethylamino)-N-[(1R,3R)-3-methylcyclohexyl]pyridine-3-sulfonamide 2-(ethylamino)-N-[(1R,3R)-3-meth…

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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	4.3	-8.93	2	5	0	71	297.424	5	↓ MOL2 SDF SMILES Flexibase

50653817

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(ethylamino)-N-[(1S,3R)-3-methylcyclohexyl]pyridine-3-sulfonamide 2-(ethylamino)-N-[(1S,3R)-3-meth…

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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	4.08	-9.01	2	5	0	71	297.424	5	↓ MOL2 SDF SMILES Flexibase

50653820

Analogs

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Popular Name: N-[(1R,3S)-3-methylcyclohexyl]-2-(propylamino)pyridine-3-sulfonamide N-[(1R,3S)-3-methylcyclohexyl]-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)	2.71	4.68	-8.63	2	5	0	71	311.451	6	↓ MOL2 SDF SMILES Flexibase

50653824

Analogs

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Popular Name: N-[(1S,3S)-3-methylcyclohexyl]-2-(propylamino)pyridine-3-sulfonamide N-[(1S,3S)-3-methylcyclohexyl]-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)	2.71	5.11	-8.89	2	5	0	71	311.451	6	↓ MOL2 SDF SMILES Flexibase

50653826

Analogs

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Popular Name: N-[(1R,3R)-3-methylcyclohexyl]-2-(propylamino)pyridine-3-sulfonamide N-[(1R,3R)-3-methylcyclohexyl]-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)	2.71	5.06	-8.79	2	5	0	71	311.451	6	↓ MOL2 SDF SMILES Flexibase

50653830

Analogs

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Popular Name: N-[(1S,3R)-3-methylcyclohexyl]-2-(propylamino)pyridine-3-sulfonamide N-[(1S,3R)-3-methylcyclohexyl]-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)	2.71	4.84	-8.83	2	5	0	71	311.451	6	↓ MOL2 SDF SMILES Flexibase

50653899

Analogs

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Popular Name: 5-bromo-2-(methylamino)-N-[(1S,3R)-3-methylcyclohexyl]pyridine-3-sulfonamide 5-bromo-2-(methylamino)-N-[(1S,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)	2.78	3.89	-7.86	2	5	0	71	362.293	4	↓ MOL2 SDF SMILES Flexibase

50653900

Analogs

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Popular Name: 5-bromo-2-(methylamino)-N-[(1S,3S)-3-methylcyclohexyl]pyridine-3-sulfonamide 5-bromo-2-(methylamino)-N-[(1S,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)	2.78	4.12	-7.79	2	5	0	71	362.293	4	↓ MOL2 SDF SMILES Flexibase

50653902

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-(methylamino)-N-[(1R,3R)-3-methylcyclohexyl]pyridine-3-sulfonamide 5-bromo-2-(methylamino)-N-[(1R,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)	2.78	3.94	-7.52	2	5	0	71	362.293	4	↓ MOL2 SDF SMILES Flexibase

50653905

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-(methylamino)-N-[(1R,3S)-3-methylcyclohexyl]pyridine-3-sulfonamide 5-bromo-2-(methylamino)-N-[(1R,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)	2.78	3.71	-7.8	2	5	0	71	362.293	4	↓ MOL2 SDF SMILES Flexibase

50653907

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-N-[(1S,3R)-3-methylcyclohexyl]pyridine-3-sulfonamide 6-amino-N-[(1S,3R)-3-methylcyclo…

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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)	1.67	1.58	-9.65	3	5	0	85	269.37	3	↓ MOL2 SDF SMILES Flexibase

50653910

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-N-[(1S,3S)-3-methylcyclohexyl]pyridine-3-sulfonamide 6-amino-N-[(1S,3S)-3-methylcyclo…

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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)	1.67	1.81	-9.83	3	5	0	85	269.37	3	↓ MOL2 SDF SMILES Flexibase

50653914

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-N-[(1R,3R)-3-methylcyclohexyl]pyridine-3-sulfonamide 6-amino-N-[(1R,3R)-3-methylcyclo…

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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)	1.67	1.74	-9.48	3	5	0	85	269.37	3	↓ MOL2 SDF SMILES Flexibase

50653916

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-N-[(1R,3S)-3-methylcyclohexyl]pyridine-3-sulfonamide 6-amino-N-[(1R,3S)-3-methylcyclo…

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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)	1.67	1.5	-9.49	3	5	0	85	269.37	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
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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 = 6116 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
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