ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

6728767

Analogs

8264635
8264644
8265124
8265131
8266412

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dimethylphenyl)-4-(1-piperidylcarbonyl)pyrrolidin-2-one 1-(3,4-dimethylphenyl)-4-(1-pipe…

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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)	2.48	8.77	-11.85	0	4	0	41	300.402	2	↓ MOL2 SDF SMILES Flexibase

6728769

Analogs

8264635
8264644
8265124
8265131
8266412

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dimethylphenyl)-4-(1-piperidylcarbonyl)pyrrolidin-2-one 1-(3,4-dimethylphenyl)-4-(1-pipe…

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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)	2.48	8.77	-16.44	0	4	0	41	300.402	2	↓ MOL2 SDF SMILES Flexibase

46130950

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)	1.93	9.2	-18.59	0	6	0	67	362.401	4	↓ MOL2 SDF SMILES Flexibase

46130954

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)	1.93	9.17	-19.27	0	6	0	67	362.401	4	↓ MOL2 SDF SMILES Flexibase

20613638

Analogs

20613639
20613640
20613641
20613658
20613659

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-(3-chloro-4-fluoro-phenyl)-4-[(2R)-2-ethylpiperidine-1-carbonyl]pyrrolidin-2-one (4S)-1-(3-chloro-4-fluoro-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.29	9.39	-9.63	0	4	0	41	352.837	3	↓ MOL2 SDF SMILES Flexibase

20613639

Analogs

20613640
20613641
20613658
20613659
20613660

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-(3-chloro-4-fluoro-phenyl)-4-[(2S)-2-ethylpiperidine-1-carbonyl]pyrrolidin-2-one (4S)-1-(3-chloro-4-fluoro-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.29	9.27	-15.95	0	4	0	41	352.837	3	↓ MOL2 SDF SMILES Flexibase

20613640

Analogs

20613641
20613658
20613659
20613660
20613661

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-(3-chloro-4-fluoro-phenyl)-4-[(2R)-2-ethylpiperidine-1-carbonyl]pyrrolidin-2-one (4R)-1-(3-chloro-4-fluoro-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.29	9.25	-16.3	0	4	0	41	352.837	3	↓ MOL2 SDF SMILES Flexibase

20613641

Analogs

20613658
20613659
20613660
20613661
20627738

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-(3-chloro-4-fluoro-phenyl)-4-[(2S)-2-ethylpiperidine-1-carbonyl]pyrrolidin-2-one (4R)-1-(3-chloro-4-fluoro-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.29	9.3	-11.7	0	4	0	41	352.837	3	↓ MOL2 SDF SMILES Flexibase

20613658

Analogs

20613659
20613660
20613661
20627738
20613638

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-(3-chloro-4-fluoro-phenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one (4S)-1-(3-chloro-4-fluoro-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.76	8.77	-9.73	0	4	0	41	338.81	2	↓ MOL2 SDF SMILES Flexibase

20613659

Analogs

20613660
20613661
20627738
20613638
20613639

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-(3-chloro-4-fluoro-phenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one (4S)-1-(3-chloro-4-fluoro-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.76	8.68	-16.7	0	4	0	41	338.81	2	↓ MOL2 SDF SMILES Flexibase

20613660

Analogs

20613661
20627738
20613638
20613639
20613640

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-(3-chloro-4-fluoro-phenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one (4R)-1-(3-chloro-4-fluoro-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.76	8.77	-12.05	0	4	0	41	338.81	2	↓ MOL2 SDF SMILES Flexibase

20613661

Analogs

20627738
20613638
20613639
20613640
20613641

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-(3-chloro-4-fluoro-phenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one (4R)-1-(3-chloro-4-fluoro-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.76	8.69	-13.43	0	4	0	41	338.81	2	↓ MOL2 SDF SMILES Flexibase

20613701

Analogs

20613702
32103325
32103327
20613592
20613593

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-(3-chloro-4-fluoro-phenyl)-4-(4-methylpiperidine-1-carbonyl)pyrrolidin-2-one (4S)-1-(3-chloro-4-fluoro-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.67	8.73	-12.37	0	4	0	41	338.81	2	↓ MOL2 SDF SMILES Flexibase

20613702

Analogs

32103325
32103327
20613592
20613593
20613701

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-(3-chloro-4-fluoro-phenyl)-4-(4-methylpiperidine-1-carbonyl)pyrrolidin-2-one (4R)-1-(3-chloro-4-fluoro-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.67	8.75	-10.4	0	4	0	41	338.81	2	↓ MOL2 SDF SMILES Flexibase

36755260

Analogs

36755262
36755264
36755266
14267197
14267198

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-(2,3-dimethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one (4R)-1-(2,3-dimethylphenyl)-4-[(…

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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)	2.79	10.02	-11.47	0	4	0	41	314.429	2	↓ MOL2 SDF SMILES Flexibase

36755262

Analogs

36755264
36755266
36755260
14267197
14267198

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-(2,3-dimethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one (4S)-1-(2,3-dimethylphenyl)-4-[(…

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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)	2.79	9.92	-16.19	0	4	0	41	314.429	2	↓ MOL2 SDF SMILES Flexibase

36755264

Analogs

36755266
36755260
36755262

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-(2,3-dimethylphenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one (4R)-1-(2,3-dimethylphenyl)-4-[(…

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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)	2.79	9.98	-11.44	0	4	0	41	314.429	2	↓ MOL2 SDF SMILES Flexibase

36755266

Analogs

36755260
36755262
36755264

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-(2,3-dimethylphenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one (4S)-1-(2,3-dimethylphenyl)-4-[(…

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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)	2.79	9.93	-15.73	0	4	0	41	314.429	2	↓ MOL2 SDF SMILES Flexibase

53890095

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(3R)-1-(4-butylphenyl)-5-oxo-pyrrolidine-3-carbonyl]-4-piperidyl]acetamide 2-[1-[(3R)-1-(4-butylphenyl)-5-o…

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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)	2.57	7.9	-17.73	2	6	0	84	385.508	7	↓ MOL2 SDF SMILES Flexibase

53890096

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(3S)-1-(4-butylphenyl)-5-oxo-pyrrolidine-3-carbonyl]-4-piperidyl]acetamide 2-[1-[(3S)-1-(4-butylphenyl)-5-o…

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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)	2.57	7.9	-23.67	2	6	0	84	385.508	7	↓ MOL2 SDF SMILES Flexibase

13260559

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(3S)-5-oxo-1-(p-tolyl)pyrrolidine-3-carbonyl]piperidine-3-carboxylic (3R)-1-[(3S)-5-oxo-1-(p-tolyl)py…

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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)	1.22	7.81	-56.82	0	6	-1	81	329.376	3	↓ MOL2 SDF SMILES Flexibase

13260560

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(3R)-5-oxo-1-(p-tolyl)pyrrolidine-3-carbonyl]piperidine-3-carboxylic (3R)-1-[(3R)-5-oxo-1-(p-tolyl)py…

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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)	1.22	7.81	-56.65	0	6	-1	81	329.376	3	↓ MOL2 SDF SMILES Flexibase

13260561

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(3S)-5-oxo-1-(p-tolyl)pyrrolidine-3-carbonyl]piperidine-3-carboxylic (3S)-1-[(3S)-5-oxo-1-(p-tolyl)py…

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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)	1.22	7.82	-56.45	0	6	-1	81	329.376	3	↓ MOL2 SDF SMILES Flexibase

13260562

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(3R)-5-oxo-1-(p-tolyl)pyrrolidine-3-carbonyl]piperidine-3-carboxylic (3S)-1-[(3R)-5-oxo-1-(p-tolyl)py…

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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)	1.22	7.77	-65.55	0	6	-1	81	329.376	3	↓ MOL2 SDF SMILES Flexibase

13260563

Analogs

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Popular Name: (3R)-1-[(3S)-1-(4-ethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]piperidine-3-carboxylic (3R)-1-[(3S)-1-(4-ethylphenyl)-5…

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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	8.58	-56.7	0	6	-1	81	343.403	4	↓ MOL2 SDF SMILES Flexibase

13260564

Analogs

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Popular Name: (3R)-1-[(3R)-1-(4-ethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]piperidine-3-carboxylic (3R)-1-[(3R)-1-(4-ethylphenyl)-5…

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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	8.57	-56.41	0	6	-1	81	343.403	4	↓ MOL2 SDF SMILES Flexibase

13260565

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(3S)-1-(4-ethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]piperidine-3-carboxylic (3S)-1-[(3S)-1-(4-ethylphenyl)-5…

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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	8.59	-56.13	0	6	-1	81	343.403	4	↓ MOL2 SDF SMILES Flexibase

13260566

Analogs

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Popular Name: (3S)-1-[(3R)-1-(4-ethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]piperidine-3-carboxylic (3S)-1-[(3R)-1-(4-ethylphenyl)-5…

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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	8.56	-56.77	0	6	-1	81	343.403	4	↓ MOL2 SDF SMILES Flexibase

13260583

Analogs

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Popular Name: (3R)-1-[(3S)-1-(2,4-dimethoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]piperidine-3-carboxylic (3R)-1-[(3S)-1-(2,4-dimethoxyphe…

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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)	0.81	6.01	-65.83	0	8	-1	99	375.401	5	↓ MOL2 SDF SMILES Flexibase

13260584

Analogs

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Popular Name: (3R)-1-[(3R)-1-(2,4-dimethoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]piperidine-3-carboxylic (3R)-1-[(3R)-1-(2,4-dimethoxyphe…

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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)	0.81	6.06	-61.13	0	8	-1	99	375.401	5	↓ MOL2 SDF SMILES Flexibase

13260585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(3S)-1-(2,4-dimethoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]piperidine-3-carboxylic (3S)-1-[(3S)-1-(2,4-dimethoxyphe…

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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)	0.81	6.06	-64.85	0	8	-1	99	375.401	5	↓ MOL2 SDF SMILES Flexibase

13260586

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(3R)-1-(2,4-dimethoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]piperidine-3-carboxylic (3S)-1-[(3R)-1-(2,4-dimethoxyphe…

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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)	0.81	6.05	-66.06	0	8	-1	99	375.401	5	↓ MOL2 SDF SMILES Flexibase

13260603

Analogs

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Popular Name: (3R)-1-[(3S)-1-(5-chloro-2-methoxy-phenyl)-5-oxo-pyrrolidine-3-carbonyl]piperidine-3-carboxylic (3R)-1-[(3S)-1-(5-chloro-2-metho…

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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)	1.43	7.22	-67.33	0	7	-1	90	379.82	4	↓ MOL2 SDF SMILES Flexibase

13260604

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Popular Name: (3R)-1-[(3R)-1-(5-chloro-2-methoxy-phenyl)-5-oxo-pyrrolidine-3-carbonyl]piperidine-3-carboxylic (3R)-1-[(3R)-1-(5-chloro-2-metho…

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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)	1.43	7.27	-64.4	0	7	-1	90	379.82	4	↓ MOL2 SDF SMILES Flexibase

13260605

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Popular Name: (3S)-1-[(3S)-1-(5-chloro-2-methoxy-phenyl)-5-oxo-pyrrolidine-3-carbonyl]piperidine-3-carboxylic (3S)-1-[(3S)-1-(5-chloro-2-metho…

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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)	1.43	7.28	-58.65	0	7	-1	90	379.82	4	↓ MOL2 SDF SMILES Flexibase

13260606

Analogs

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Popular Name: (3S)-1-[(3R)-1-(5-chloro-2-methoxy-phenyl)-5-oxo-pyrrolidine-3-carbonyl]piperidine-3-carboxylic (3S)-1-[(3R)-1-(5-chloro-2-metho…

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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)	1.43	7.27	-67.49	0	7	-1	90	379.82	4	↓ MOL2 SDF SMILES Flexibase

13260607

Analogs

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Popular Name: (3R)-1-[(3S)-1-(2-chlorophenyl)-5-oxo-pyrrolidine-3-carbonyl]piperidine-3-carboxylic (3R)-1-[(3S)-1-(2-chlorophenyl)-…

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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	8.26	-57.32	0	6	-1	81	349.794	3	↓ MOL2 SDF SMILES Flexibase

13260608

Analogs

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Popular Name: (3S)-1-[(3S)-1-(2-chlorophenyl)-5-oxo-pyrrolidine-3-carbonyl]piperidine-3-carboxylic (3S)-1-[(3S)-1-(2-chlorophenyl)-…

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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	8.16	-56.89	0	6	-1	81	349.794	3	↓ MOL2 SDF SMILES Flexibase

13260609

Analogs

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Popular Name: (3R)-1-[(3R)-1-(2-chlorophenyl)-5-oxo-pyrrolidine-3-carbonyl]piperidine-3-carboxylic (3R)-1-[(3R)-1-(2-chlorophenyl)-…

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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	8.12	-66.14	0	6	-1	81	349.794	3	↓ MOL2 SDF SMILES Flexibase

13260610

Analogs

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Popular Name: (3S)-1-[(3R)-1-(2-chlorophenyl)-5-oxo-pyrrolidine-3-carbonyl]piperidine-3-carboxylic (3S)-1-[(3R)-1-(2-chlorophenyl)-…

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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	8.07	-67.45	0	6	-1	81	349.794	3	↓ MOL2 SDF SMILES Flexibase

13260657

Analogs

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Popular Name: (3R)-1-[(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-pyrrolidine-3-carbonyl]piperidine-3-carboxylic (3R)-1-[(3S)-1-[4-(diethylsulfam…

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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)	0.84	6.73	-62.44	0	9	-1	118	450.537	7	↓ MOL2 SDF SMILES Flexibase

13260658

Analogs

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Popular Name: (3R)-1-[(3R)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-pyrrolidine-3-carbonyl]piperidine-3-carboxylic (3R)-1-[(3R)-1-[4-(diethylsulfam…

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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)	0.84	6.85	-60.59	0	9	-1	118	450.537	7	↓ MOL2 SDF SMILES Flexibase

13260659

Analogs

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Popular Name: (3S)-1-[(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-pyrrolidine-3-carbonyl]piperidine-3-carboxylic (3S)-1-[(3S)-1-[4-(diethylsulfam…

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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)	0.84	6.87	-61.57	0	9	-1	118	450.537	7	↓ MOL2 SDF SMILES Flexibase

13260660

Analogs

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Popular Name: (3S)-1-[(3R)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-pyrrolidine-3-carbonyl]piperidine-3-carboxylic (3S)-1-[(3R)-1-[4-(diethylsulfam…

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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)	0.84	6.83	-60.75	0	9	-1	118	450.537	7	↓ MOL2 SDF SMILES Flexibase

13260661

Analogs

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Popular Name: (3R)-1-[(3S)-1-(2-fluorophenyl)-5-oxo-pyrrolidine-3-carbonyl]piperidine-3-carboxylic (3R)-1-[(3S)-1-(2-fluorophenyl)-…

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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	7.59	-58.39	0	6	-1	81	333.339	3	↓ MOL2 SDF SMILES Flexibase

13260662

Analogs

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Popular Name: (3S)-1-[(3S)-1-(2-fluorophenyl)-5-oxo-pyrrolidine-3-carbonyl]piperidine-3-carboxylic (3S)-1-[(3S)-1-(2-fluorophenyl)-…

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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	7.48	-57.98	0	6	-1	81	333.339	3	↓ MOL2 SDF SMILES Flexibase

13260663

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Popular Name: (3R)-1-[(3R)-1-(2-fluorophenyl)-5-oxo-pyrrolidine-3-carbonyl]piperidine-3-carboxylic (3R)-1-[(3R)-1-(2-fluorophenyl)-…

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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	7.45	-70.05	0	6	-1	81	333.339	3	↓ MOL2 SDF SMILES Flexibase

13260664

Analogs

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Popular Name: (3S)-1-[(3R)-1-(2-fluorophenyl)-5-oxo-pyrrolidine-3-carbonyl]piperidine-3-carboxylic (3S)-1-[(3R)-1-(2-fluorophenyl)-…

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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	7.39	-71.48	0	6	-1	81	333.339	3	↓ MOL2 SDF SMILES Flexibase

13261788

Analogs

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Popular Name: 1-{[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]carbonyl}piperidine-4-carboxylic acid 1-{[1-(4-ethylphenyl)-5-oxopyrro…

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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	8.57	-52.66	0	6	-1	81	343.403	4	↓ MOL2 SDF SMILES Flexibase

13261789

Analogs

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Popular Name: 1-{[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]carbonyl}piperidine-4-carboxylic acid 1-{[1-(4-ethylphenyl)-5-oxopyrro…

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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	8.56	-56.92	0	6	-1	81	343.403	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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