ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

44242856

Analogs

49067115
49067117

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(5-bromo-3-pyridyl)sulfonyl]pyrrolidine-2-carboxylic (2R)-1-[(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)	-0.69	3.48	-55.11	0	6	-1	90	334.171	3	↓ MOL2 SDF SMILES Flexibase

44242858

Analogs

49067115
49067117

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(5-bromo-3-pyridyl)sulfonyl]pyrrolidine-2-carboxylic (2S)-1-[(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)	-0.69	2.72	-44.07	0	6	-1	90	334.171	3	↓ MOL2 SDF SMILES Flexibase

44242862

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-1-[(5-bromo-3-pyridyl)sulfonyl]-4-hydroxy-pyrrolidine-2-carboxylic (2R,4R)-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)	-1.60	0.09	-56.59	1	7	-1	111	350.17	3	↓ MOL2 SDF SMILES Flexibase

44242864

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-1-[(5-bromo-3-pyridyl)sulfonyl]-4-hydroxy-pyrrolidine-2-carboxylic (2R,4S)-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)	-1.60	0.09	-55.86	1	7	-1	111	350.17	3	↓ MOL2 SDF SMILES Flexibase

44242966

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-1-[(5-bromo-3-pyridyl)sulfonyl]-4-methoxy-pyrrolidine-2-carboxylic (2R,4R)-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)	-0.98	2.77	-54.78	0	7	-1	100	364.197	4	↓ MOL2 SDF SMILES Flexibase

44242968

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-1-[(5-bromo-3-pyridyl)sulfonyl]-4-methoxy-pyrrolidine-2-carboxylic (2R,4S)-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)	-0.98	2.78	-53.58	0	7	-1	100	364.197	4	↓ MOL2 SDF SMILES Flexibase

44242970

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-1-[(5-bromo-3-pyridyl)sulfonyl]-4-methoxy-pyrrolidine-2-carboxylic (2S,4R)-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)	-0.98	1.88	-41.79	0	7	-1	100	364.197	4	↓ MOL2 SDF SMILES Flexibase

44242972

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-1-[(5-bromo-3-pyridyl)sulfonyl]-4-methoxy-pyrrolidine-2-carboxylic (2S,4S)-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)	-0.98	1.95	-43.97	0	7	-1	100	364.197	4	↓ MOL2 SDF SMILES Flexibase

44243075

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-1-[(5-bromo-3-pyridyl)sulfonyl]-4-hydroxy-pyrrolidine-2-carboxylic (2S,4R)-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)	-1.60	-0.67	-46.06	1	7	-1	111	350.17	3	↓ MOL2 SDF SMILES Flexibase

44243077

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-1-[(5-bromo-3-pyridyl)sulfonyl]-4-hydroxy-pyrrolidine-2-carboxylic (2S,4S)-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)	-1.60	-0.67	-44.96	1	7	-1	111	350.17	3	↓ MOL2 SDF SMILES Flexibase

44243105

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-[(5-bromo-3-pyridyl)sulfonyl]pyrrolidin-2-yl]acetic 2-[(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)	1.04	3.85	-48.21	0	6	-1	90	348.198	4	↓ MOL2 SDF SMILES Flexibase

44243107

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-[(5-bromo-3-pyridyl)sulfonyl]pyrrolidin-2-yl]acetic 2-[(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)	1.04	3.56	-47.93	0	6	-1	90	348.198	4	↓ MOL2 SDF SMILES Flexibase

44243286

Analogs

19505604
19505605
19504469

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-5-[(2R)-2-isocyanatopyrrolidin-1-yl]sulfonyl-pyridine 3-bromo-5-[(2R)-2-isocyanatopyrr…

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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)	1.27	0.16	-10.3	0	6	0	80	332.179	3	↓ MOL2 SDF SMILES Flexibase

44243288

Analogs

19505604
19505605
19504469

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-5-[(2S)-2-isocyanatopyrrolidin-1-yl]sulfonyl-pyridine 3-bromo-5-[(2S)-2-isocyanatopyrr…

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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)	1.27	-0.23	-9.05	0	6	0	80	332.179	3	↓ MOL2 SDF SMILES Flexibase

44243299

Analogs

19874151
19874153

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(5-bromo-3-pyridyl)sulfonyl]pyrrolidin-2-amine (2R)-1-[(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)	0.92	0.46	-46.29	3	5	1	78	307.193	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.92	0.17	-7.76	2	5	0	76	306.185	2	↓ MOL2 SDF SMILES Flexibase

44243301

Analogs

19874151
19874153

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(5-bromo-3-pyridyl)sulfonyl]pyrrolidin-2-amine (2S)-1-[(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)	0.92	0.12	-48.27	3	5	1	78	307.193	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.92	-0.24	-8	2	5	0	76	306.185	2	↓ MOL2 SDF SMILES Flexibase

44243479

Analogs

36796953
36796954

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Bromo-8-chloro-quinoline 4-Bromo-8-chloro-quinoline

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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)	0.89	0.07	-8.88	1	5	0	71	321.196	3	↓ MOL2 SDF SMILES Flexibase

44243481

Analogs

36796953
36796954

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Bromo-8-chloro-quinoline 4-Bromo-8-chloro-quinoline

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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)	0.89	-0.34	-7.76	1	5	0	71	321.196	3	↓ MOL2 SDF SMILES Flexibase

23007008

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]butanenitrile 4-[(5-pyrrolidin-1-ylsulfonyl-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)	1.25	5.18	-14.39	0	5	0	74	311.432	6	↓ MOL2 SDF SMILES Flexibase

57926782

Analogs

37984345
37984362
37984363

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-[(2S)-2-(2,2-dimethylpropyl)pyrrolidin-1-yl]sulfonyl-pyridine 2-chloro-5-[(2S)-2-(2,2-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)	3.56	4.95	-8.09	0	4	0	50	316.854	4	↓ MOL2 SDF SMILES Flexibase

57926788

Analogs

37984345
37984362
37984363

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-[(2R)-2-(2,2-dimethylpropyl)pyrrolidin-1-yl]sulfonyl-pyridine 2-chloro-5-[(2R)-2-(2,2-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)	3.56	5.25	-8.54	0	4	0	50	316.854	4	↓ MOL2 SDF SMILES Flexibase

62924503

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(3-pyridylsulfonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(3-pyridylsulfon…

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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)	0.17	2.78	-49.7	0	6	-1	90	269.302	3	↓ MOL2 SDF SMILES Flexibase

62924504

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(3-pyridylsulfonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(3-pyridylsulfon…

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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)	0.17	2.81	-49.84	0	6	-1	90	269.302	3	↓ MOL2 SDF SMILES Flexibase

62924920

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2-chloro-3-pyridyl)sulfonyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(2-chloro-3-pyridyl)sulf…

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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)	0.97	3.02	-52.78	0	6	-1	90	303.747	3	↓ MOL2 SDF SMILES Flexibase

62924921

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2-chloro-3-pyridyl)sulfonyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(2-chloro-3-pyridyl)sulf…

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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)	0.97	3.05	-47.96	0	6	-1	90	303.747	3	↓ MOL2 SDF SMILES Flexibase

62925033

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(5-bromo-3-pyridyl)sulfonyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(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	3.38	-45.71	0	6	-1	90	348.198	3	↓ MOL2 SDF SMILES Flexibase

62925034

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(5-bromo-3-pyridyl)sulfonyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(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	3.4	-45.95	0	6	-1	90	348.198	3	↓ MOL2 SDF SMILES Flexibase

62925037

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(5-fluoro-3-pyridyl)sulfonyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(5-fluoro-3-pyridyl)sulf…

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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)	0.48	2.84	-45.82	0	6	-1	90	287.292	3	↓ MOL2 SDF SMILES Flexibase

62925038

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(5-fluoro-3-pyridyl)sulfonyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(5-fluoro-3-pyridyl)sulf…

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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)	0.48	2.87	-46.32	0	6	-1	90	287.292	3	↓ MOL2 SDF SMILES Flexibase

62925335

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-(3-pyridylsulfonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(3-pyridylsulfony…

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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)	0.51	3.27	-48.82	0	6	-1	90	283.329	4	↓ MOL2 SDF SMILES Flexibase

62925336

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(3-pyridylsulfonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(3-pyridylsulfony…

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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)	0.51	3.36	-52.55	0	6	-1	90	283.329	4	↓ MOL2 SDF SMILES Flexibase

62925690

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2-chloro-3-pyridyl)sulfonyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[(2-chloro-3-pyridyl)sulf…

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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)	1.31	3.5	-51.83	0	6	-1	90	317.774	4	↓ MOL2 SDF SMILES Flexibase

62925691

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2-chloro-3-pyridyl)sulfonyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[(2-chloro-3-pyridyl)sulf…

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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)	1.31	3.59	-53.58	0	6	-1	90	317.774	4	↓ MOL2 SDF SMILES Flexibase

62925770

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(5-bromo-3-pyridyl)sulfonyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[(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)	1.46	3.86	-44.77	0	6	-1	90	362.225	4	↓ MOL2 SDF SMILES Flexibase

62925771

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(5-bromo-3-pyridyl)sulfonyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[(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)	1.46	3.95	-48.76	0	6	-1	90	362.225	4	↓ MOL2 SDF SMILES Flexibase

62925776

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-[(5-fluoro-3-pyridyl)sulfonyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(5-fluoro-3-pyri…

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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)	0.82	3.33	-44.91	0	6	-1	90	301.319	4	↓ MOL2 SDF SMILES Flexibase

62925777

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[(5-fluoro-3-pyridyl)sulfonyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(5-fluoro-3-pyri…

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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)	0.82	3.42	-49.1	0	6	-1	90	301.319	4	↓ MOL2 SDF SMILES Flexibase

62925942

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-propyl-1-(3-pyridylsulfonyl)pyrrolidine-3-carboxylic (3S)-3-propyl-1-(3-pyridylsulfon…

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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)	1.07	4.04	-49.07	0	6	-1	90	297.356	5	↓ MOL2 SDF SMILES Flexibase

62925943

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-propyl-1-(3-pyridylsulfonyl)pyrrolidine-3-carboxylic (3R)-3-propyl-1-(3-pyridylsulfon…

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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)	1.07	4.12	-52.83	0	6	-1	90	297.356	5	↓ MOL2 SDF SMILES Flexibase

62926193

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2-chloro-3-pyridyl)sulfonyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(2-chloro-3-pyridyl)sulf…

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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)	1.87	4.27	-52.12	0	6	-1	90	331.801	5	↓ MOL2 SDF SMILES Flexibase

62926194

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2-chloro-3-pyridyl)sulfonyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(2-chloro-3-pyridyl)sulf…

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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)	1.87	4.36	-53.86	0	6	-1	90	331.801	5	↓ MOL2 SDF SMILES Flexibase

62926229

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(5-bromo-3-pyridyl)sulfonyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(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)	2.02	4.63	-45.02	0	6	-1	90	376.252	5	↓ MOL2 SDF SMILES Flexibase

62926230

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(5-bromo-3-pyridyl)sulfonyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(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)	2.02	4.72	-49.03	0	6	-1	90	376.252	5	↓ MOL2 SDF SMILES Flexibase

62926233

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(5-fluoro-3-pyridyl)sulfonyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(5-fluoro-3-pyridyl)sulf…

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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)	1.38	4.09	-45.14	0	6	-1	90	315.346	5	↓ MOL2 SDF SMILES Flexibase

62926234

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(5-fluoro-3-pyridyl)sulfonyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(5-fluoro-3-pyridyl)sulf…

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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)	1.38	4.18	-49.38	0	6	-1	90	315.346	5	↓ MOL2 SDF SMILES Flexibase

62970717

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(6-chloro-3-pyridyl)sulfonyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[(6-chloro-3-pyridyl)sulf…

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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)	1.35	3.35	-46.26	1	5	1	55	290.796	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.35	0.95	-8.69	0	5	0	54	289.788	3	↓ MOL2 SDF SMILES Flexibase

62970718

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(6-chloro-3-pyridyl)sulfonyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(6-chloro-3-pyridyl)sulf…

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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)	1.35	3.36	-46.14	1	5	1	55	290.796	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.35	0.96	-8.74	0	5	0	54	289.788	3	↓ MOL2 SDF SMILES Flexibase

62970729

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2-chloro-3-pyridyl)sulfonyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[(2-chloro-3-pyridyl)sulf…

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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	3.17	-46.33	1	5	1	55	290.796	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.13	0.76	-9.91	0	5	0	54	289.788	3	↓ MOL2 SDF SMILES Flexibase

62970730

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2-chloro-3-pyridyl)sulfonyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(2-chloro-3-pyridyl)sulf…

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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	3.17	-43.66	1	5	1	55	290.796	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.13	0.77	-10.6	0	5	0	54	289.788	3	↓ MOL2 SDF SMILES Flexibase

62970749

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(5-bromo-2-chloro-3-pyridyl)sulfonyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[(5-bromo-2-chloro-3-pyri…

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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)	2.09	3.76	-44.37	1	5	1	55	369.692	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.09	1.36	-6.68	0	5	0	54	368.684	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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