ZINC 12

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ZINC Item

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44243119

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(5-bromo-3-pyridyl)sulfonylamino]tetrahydrothiophene-3-carboxylic (3S)-3-[(5-bromo-3-pyridyl)sulfo…

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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)	-1.13	2.1	-38.16	1	6	-1	99	366.238	4	↓ MOL2 SDF SMILES Flexibase

44243121

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(5-bromo-3-pyridyl)sulfonylamino]tetrahydrothiophene-3-carboxylic (3R)-3-[(5-bromo-3-pyridyl)sulfo…

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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)	-1.13	2.58	-48.7	1	6	-1	99	366.238	4	↓ MOL2 SDF SMILES Flexibase

50653026

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-6-(methylamino)-N-[(3R)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide N-methyl-6-(methylamino)-N-[(3R)…

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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)	1.02	2.69	-10.26	1	5	0	62	287.41	4	↓ MOL2 SDF SMILES Flexibase

50653027

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-6-(methylamino)-N-[(3S)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide N-methyl-6-(methylamino)-N-[(3S)…

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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)	1.02	2.66	-10.46	1	5	0	62	287.41	4	↓ MOL2 SDF SMILES Flexibase

50653029

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(ethylamino)-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide 6-(ethylamino)-N-methyl-N-[(3R)-…

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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)	1.40	3.49	-9.77	1	5	0	62	301.437	5	↓ MOL2 SDF SMILES Flexibase

50653031

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(ethylamino)-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide 6-(ethylamino)-N-methyl-N-[(3S)-…

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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)	1.40	3.46	-10.04	1	5	0	62	301.437	5	↓ MOL2 SDF SMILES Flexibase

50653032

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-6-(propylamino)-N-[(3R)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide N-methyl-6-(propylamino)-N-[(3R)…

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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)	1.90	4.26	-9.46	1	5	0	62	315.464	6	↓ MOL2 SDF SMILES Flexibase

50653034

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-6-(propylamino)-N-[(3S)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide N-methyl-6-(propylamino)-N-[(3S)…

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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)	1.90	4.22	-9.77	1	5	0	62	315.464	6	↓ MOL2 SDF SMILES Flexibase

50653058

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-(methylamino)-N-[(3R)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide N-methyl-2-(methylamino)-N-[(3R)…

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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)	0.80	3.68	-9.8	1	5	0	62	287.41	4	↓ MOL2 SDF SMILES Flexibase

50653060

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-(methylamino)-N-[(3S)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide N-methyl-2-(methylamino)-N-[(3S)…

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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)	0.80	3.55	-10.13	1	5	0	62	287.41	4	↓ MOL2 SDF SMILES Flexibase

50653062

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(ethylamino)-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide 2-(ethylamino)-N-methyl-N-[(3R)-…

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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	4.33	-9.55	1	5	0	62	301.437	5	↓ MOL2 SDF SMILES Flexibase

50653064

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(ethylamino)-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide 2-(ethylamino)-N-methyl-N-[(3S)-…

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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	4.37	-9.85	1	5	0	62	301.437	5	↓ MOL2 SDF SMILES Flexibase

50653065

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-(propylamino)-N-[(3R)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide N-methyl-2-(propylamino)-N-[(3R)…

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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)	1.68	5.07	-9.31	1	5	0	62	315.464	6	↓ MOL2 SDF SMILES Flexibase

50653067

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-(propylamino)-N-[(3S)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide N-methyl-2-(propylamino)-N-[(3S)…

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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)	1.68	5.13	-9.69	1	5	0	62	315.464	6	↓ MOL2 SDF SMILES Flexibase

50653094

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-methyl-2-(methylamino)-N-[(3R)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide 5-bromo-N-methyl-2-(methylamino)…

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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)	1.76	4.27	-8.3	1	5	0	62	366.306	4	↓ MOL2 SDF SMILES Flexibase

50653095

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-methyl-2-(methylamino)-N-[(3S)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide 5-bromo-N-methyl-2-(methylamino)…

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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)	1.76	4.15	-8.75	1	5	0	62	366.306	4	↓ MOL2 SDF SMILES Flexibase

50653097

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-(ethylamino)-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide 5-bromo-2-(ethylamino)-N-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)	2.14	4.92	-7.88	1	5	0	62	380.333	5	↓ MOL2 SDF SMILES Flexibase

50653098

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-(ethylamino)-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide 5-bromo-2-(ethylamino)-N-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)	2.14	4.96	-8.39	1	5	0	62	380.333	5	↓ MOL2 SDF SMILES Flexibase

50653100

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-methyl-2-(propylamino)-N-[(3R)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide 5-bromo-N-methyl-2-(propylamino)…

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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)	2.64	5.66	-7.63	1	5	0	62	394.36	6	↓ MOL2 SDF SMILES Flexibase

50653102

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-methyl-2-(propylamino)-N-[(3S)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide 5-bromo-N-methyl-2-(propylamino)…

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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)	2.64	5.73	-8.17	1	5	0	62	394.36	6	↓ MOL2 SDF SMILES Flexibase

50653103

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide 6-amino-N-methyl-N-[(3R)-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)	0.65	1.81	-10.18	2	5	0	76	273.383	3	↓ MOL2 SDF SMILES Flexibase

50653105

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide 6-amino-N-methyl-N-[(3S)-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)	0.65	1.84	-10.5	2	5	0	76	273.383	3	↓ MOL2 SDF SMILES Flexibase

50653113

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide 2-amino-N-methyl-N-[(3R)-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)	0.43	2.29	-9.84	2	5	0	76	273.383	3	↓ MOL2 SDF SMILES Flexibase

50653115

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide 2-amino-N-methyl-N-[(3S)-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)	0.43	2.32	-9.94	2	5	0	76	273.383	3	↓ MOL2 SDF SMILES Flexibase

50653131

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-5-bromo-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide 2-amino-5-bromo-N-methyl-N-[(3R)…

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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)	1.39	2.88	-8.39	2	5	0	76	352.279	3	↓ MOL2 SDF SMILES Flexibase

50653133

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-5-bromo-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide 2-amino-5-bromo-N-methyl-N-[(3S)…

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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)	1.39	2.91	-8.57	2	5	0	76	352.279	3	↓ MOL2 SDF SMILES Flexibase

70302119

Analogs

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Popular Name: (3S)-3-[(6-nitro-3-pyridyl)sulfonylamino]tetrahydrothiophene-3-carboxylic (3S)-3-[(6-nitro-3-pyridyl)sulfo…

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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	3.2	-39.79	1	9	-1	145	332.339	5	↓ MOL2 SDF SMILES Flexibase

70302120

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(6-nitro-3-pyridyl)sulfonylamino]tetrahydrothiophene-3-carboxylic (3R)-3-[(6-nitro-3-pyridyl)sulfo…

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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	3.67	-52.23	1	9	-1	145	332.339	5	↓ MOL2 SDF SMILES Flexibase

70302473

Analogs

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Popular Name: 6-amino-N-(2-methoxyethyl)-N-[(3R)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide 6-amino-N-(2-methoxyethyl)-N-[(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)	0.63	2.13	-10.51	2	6	0	86	317.436	6	↓ MOL2 SDF SMILES Flexibase

70302474

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-N-(2-methoxyethyl)-N-[(3S)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide 6-amino-N-(2-methoxyethyl)-N-[(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)	0.63	1.63	-10.66	2	6	0	86	317.436	6	↓ MOL2 SDF SMILES Flexibase

37174999

Analogs

37986131
37986132

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Popular Name: 6-chloro-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide 6-chloro-N-methyl-N-[(3R)-tetrah…

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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)	1.84	3.49	-9.3	0	4	0	50	292.813	3	↓ MOL2 SDF SMILES Flexibase

37175000

Analogs

37986131
37986132

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide 6-chloro-N-methyl-N-[(3S)-tetrah…

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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)	1.84	3.53	-9.57	0	4	0	50	292.813	3	↓ MOL2 SDF SMILES Flexibase

37175601

Analogs

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Popular Name: 6-hydrazino-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide 6-hydrazino-N-methyl-N-[(3R)-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)	0.41	1.72	-11.29	3	6	0	88	288.398	4	↓ MOL2 SDF SMILES Flexibase

37175602

Analogs

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Popular Name: 6-hydrazino-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide 6-hydrazino-N-methyl-N-[(3S)-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)	0.41	1.75	-11.7	3	6	0	88	288.398	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 6211
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 6211 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=6211&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "6211"        

    });
</script>

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