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ZINC Item

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58325365

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-[2-[2-(methylamino)-2-oxo-ethyl]phenyl]-N2-phenyl-pyrrolidine-1,2-dicarboxamide (2R)-N1-[2-[2-(methylamino)-2-ox…

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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)	2.12	6.56	-25.69	3	7	0	91	380.448	5	↓ MOL2 SDF SMILES Flexibase

58325366

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1-[2-[2-(methylamino)-2-oxo-ethyl]phenyl]-N2-phenyl-pyrrolidine-1,2-dicarboxamide (2S)-N1-[2-[2-(methylamino)-2-ox…

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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)	2.12	6.54	-23.18	3	7	0	91	380.448	5	↓ MOL2 SDF SMILES Flexibase

58328587

Analogs

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Popular Name: (2S)-N2-phenyl-N1-[4-(trifluoromethoxy)phenyl]pyrrolidine-1,2-dicarboxamide (2S)-N2-phenyl-N1-[4-(trifluorom…

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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)	3.85	7.18	-18.89	2	6	0	71	393.365	5	↓ MOL2 SDF SMILES Flexibase

58328588

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N2-phenyl-N1-[4-(trifluoromethoxy)phenyl]pyrrolidine-1,2-dicarboxamide (2R)-N2-phenyl-N1-[4-(trifluorom…

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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)	3.85	7.15	-17.71	2	6	0	71	393.365	5	↓ MOL2 SDF SMILES Flexibase

1379414

Analogs

12471451
12471461
1346949
1346952

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N,N'-bis(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide (2R)-N,N'-bis(4-fluorophenyl)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)	3.21	-0.29	-17.26	2	5	0	61	345.349	3	↓ MOL2 SDF SMILES Flexibase

1379415

Analogs

12471451
12471461
1346949
1346952

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N,N'-bis(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide (2S)-N,N'-bis(4-fluorophenyl)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)	3.21	-0.17	-18.32	2	5	0	61	345.349	3	↓ MOL2 SDF SMILES Flexibase

1379428

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N'-(2,3-dimethylphenyl)-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide (2R)-N'-(2,3-dimethylphenyl)-N-(…

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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)	3.85	-0.23	-17.66	2	5	0	61	355.413	3	↓ MOL2 SDF SMILES Flexibase

1379429

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N'-(2,3-dimethylphenyl)-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide (2S)-N'-(2,3-dimethylphenyl)-N-(…

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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)	3.85	-0.05	-19.1	2	5	0	61	355.413	3	↓ MOL2 SDF SMILES Flexibase

1379430

Analogs

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Popular Name: (2R)-N-(4-fluorophenyl)-N'-o-phenetyl-pyrrolidine-1,2-dicarboxamide (2R)-N-(4-fluorophenyl)-N'-o-phe…

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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)	3.43	-0.91	-17.74	2	6	0	70	371.412	5	↓ MOL2 SDF SMILES Flexibase

1379431

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-fluorophenyl)-N'-o-phenetyl-pyrrolidine-1,2-dicarboxamide (2S)-N-(4-fluorophenyl)-N'-o-phe…

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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)	3.43	-0.89	-17.41	2	6	0	70	371.412	5	↓ MOL2 SDF SMILES Flexibase

1379432

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N'-(2,6-dimethoxyphenyl)-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide (2R)-N'-(2,6-dimethoxyphenyl)-N-…

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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)	3.06	-0.09	-19.13	2	7	0	79	387.411	5	↓ MOL2 SDF SMILES Flexibase

1379433

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N'-(2,6-dimethoxyphenyl)-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide (2S)-N'-(2,6-dimethoxyphenyl)-N-…

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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)	3.06	-0.2	-19.65	2	7	0	79	387.411	5	↓ MOL2 SDF SMILES Flexibase

1379460

Analogs

15936110
15936111

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-methoxyphenyl)-N'-phenyl-pyrrolidine-1,2-dicarboxamide (2S)-N-(4-methoxyphenyl)-N'-phen…

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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)	2.94	6.69	-18.68	2	6	0	71	339.395	4	↓ MOL2 SDF SMILES Flexibase

1379461

Analogs

15936110
15936111

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-methoxyphenyl)-N'-phenyl-pyrrolidine-1,2-dicarboxamide (2R)-N-(4-methoxyphenyl)-N'-phen…

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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)	2.94	6.69	-18.34	2	6	0	71	339.395	4	↓ MOL2 SDF SMILES Flexibase

1379462

Analogs

34866625

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-methoxyphenyl)-N'-(p-tolyl)pyrrolidine-1,2-dicarboxamide (2R)-N-(4-methoxyphenyl)-N'-(p-t…

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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)	3.39	7.33	-18.56	2	6	0	71	353.422	4	↓ MOL2 SDF SMILES Flexibase

1379463

Analogs

34866625

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-methoxyphenyl)-N'-(p-tolyl)pyrrolidine-1,2-dicarboxamide (2S)-N-(4-methoxyphenyl)-N'-(p-t…

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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)	3.39	7.36	-19.2	2	6	0	71	353.422	4	↓ MOL2 SDF SMILES Flexibase

1379466

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N'-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2S)-N'-(2,4-dimethoxyphenyl)-N-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.98	-1.49	-19.77	2	8	0	89	399.447	6	↓ MOL2 SDF SMILES Flexibase

1379467

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N'-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2R)-N'-(2,4-dimethoxyphenyl)-N-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.98	-1.62	-19.49	2	8	0	89	399.447	6	↓ MOL2 SDF SMILES Flexibase

1379472

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N'-(4-chlorophenyl)-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2S)-N'-(4-chlorophenyl)-N-(4-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.62	-1.79	-18.72	2	6	0	70	373.84	4	↓ MOL2 SDF SMILES Flexibase

1379473

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N'-(4-chlorophenyl)-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2R)-N'-(4-chlorophenyl)-N-(4-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.62	-1.9	-18.27	2	6	0	70	373.84	4	↓ MOL2 SDF SMILES Flexibase

1379482

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N'-(3-acetamidophenyl)-N-(4-chlorophenyl)pyrrolidine-1,2-dicarboxamide (2R)-N'-(3-acetamidophenyl)-N-(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)	2.76	6.78	-24.01	3	7	0	91	400.866	4	↓ MOL2 SDF SMILES Flexibase

1379483

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N'-(3-acetamidophenyl)-N-(4-chlorophenyl)pyrrolidine-1,2-dicarboxamide (2S)-N'-(3-acetamidophenyl)-N-(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)	2.76	6.8	-22.04	3	7	0	91	400.866	4	↓ MOL2 SDF SMILES Flexibase

1379546

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N'-o-phenetyl-N-phenyl-pyrrolidine-1,2-dicarboxamide (2R)-N'-o-phenetyl-N-phenyl-pyrr…

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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)	3.27	-1.62	-17.76	2	6	0	70	353.422	5	↓ MOL2 SDF SMILES Flexibase

1379547

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N'-o-phenetyl-N-phenyl-pyrrolidine-1,2-dicarboxamide (2S)-N'-o-phenetyl-N-phenyl-pyrr…

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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)	3.27	-1.51	-18.93	2	6	0	70	353.422	5	↓ MOL2 SDF SMILES Flexibase

1379548

Analogs

1341858
1341861

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N'-(3,4-dimethoxyphenyl)-N-phenyl-pyrrolidine-1,2-dicarboxamide (2R)-N'-(3,4-dimethoxyphenyl)-N-…

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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)	2.53	6.55	-20.58	2	7	0	80	369.421	5	↓ MOL2 SDF SMILES Flexibase

1379549

Analogs

1341858
1341861

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N'-(3,4-dimethoxyphenyl)-N-phenyl-pyrrolidine-1,2-dicarboxamide (2S)-N'-(3,4-dimethoxyphenyl)-N-…

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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)	2.53	6.6	-21.45	2	7	0	80	369.421	5	↓ MOL2 SDF SMILES Flexibase

1379572

Analogs

34968590

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N'-(2,6-dimethoxyphenyl)-N-(p-tolyl)pyrrolidine-1,2-dicarboxamide (2S)-N'-(2,6-dimethoxyphenyl)-N-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.35	-0.55	-20.6	2	7	0	79	383.448	5	↓ MOL2 SDF SMILES Flexibase

1379573

Analogs

34968590

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N'-(2,6-dimethoxyphenyl)-N-(p-tolyl)pyrrolidine-1,2-dicarboxamide (2R)-N'-(2,6-dimethoxyphenyl)-N-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.35	-0.5	-19.74	2	7	0	79	383.448	5	↓ MOL2 SDF SMILES Flexibase

1379574

Analogs

1341858
1341861

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N'-(3,4-dimethoxyphenyl)-N-(p-tolyl)pyrrolidine-1,2-dicarboxamide (2S)-N'-(3,4-dimethoxyphenyl)-N-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.98	-0.98	-21.78	2	7	0	79	383.448	5	↓ MOL2 SDF SMILES Flexibase

1379575

Analogs

1341858
1341861

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N'-(3,4-dimethoxyphenyl)-N-(p-tolyl)pyrrolidine-1,2-dicarboxamide (2R)-N'-(3,4-dimethoxyphenyl)-N-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.98	-1	-22.58	2	7	0	79	383.448	5	↓ MOL2 SDF SMILES Flexibase

1379586

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-methoxyphenyl)-N'-phenyl-pyrrolidine-1,2-dicarboxamide (2S)-N-(2-methoxyphenyl)-N'-phen…

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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)	2.89	6.84	-18.81	2	6	0	71	339.395	4	↓ MOL2 SDF SMILES Flexibase

1379587

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-methoxyphenyl)-N'-phenyl-pyrrolidine-1,2-dicarboxamide (2R)-N-(2-methoxyphenyl)-N'-phen…

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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)	2.89	6.84	-18.63	2	6	0	71	339.395	4	↓ MOL2 SDF SMILES Flexibase

1379588

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N'-(2-fluorophenyl)-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2S)-N'-(2-fluorophenyl)-N-(2-me…

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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)	3.01	-0.89	-17.98	2	6	0	70	357.385	4	↓ MOL2 SDF SMILES Flexibase

1379589

Analogs

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Popular Name: (2R)-N'-(2-fluorophenyl)-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2R)-N'-(2-fluorophenyl)-N-(2-me…

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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)	3.01	-0.86	-17.2	2	6	0	70	357.385	4	↓ MOL2 SDF SMILES Flexibase

1379590

Analogs

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Popular Name: (2S)-N'-(3-fluorophenyl)-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2S)-N'-(3-fluorophenyl)-N-(2-me…

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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)	3.03	-0.93	-20.89	2	6	0	70	357.385	4	↓ MOL2 SDF SMILES Flexibase

1379591

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N'-(3-fluorophenyl)-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2R)-N'-(3-fluorophenyl)-N-(2-me…

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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)	3.03	-0.89	-20.07	2	6	0	70	357.385	4	↓ MOL2 SDF SMILES Flexibase

1379592

Analogs

34968587
34968588
36756104
36756105
36756537

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N,N'-bis(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2R)-N,N'-bis(2-methoxyphenyl)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)	2.90	-1.5	-18.74	2	7	0	79	369.421	5	↓ MOL2 SDF SMILES Flexibase

1379593

Analogs

34968587
34968588
36756104
36756105
36756537

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N,N'-bis(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2S)-N,N'-bis(2-methoxyphenyl)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)	2.90	-1.54	-19.44	2	7	0	79	369.421	5	↓ MOL2 SDF SMILES Flexibase

1379594

Analogs

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Popular Name: (2R)-N-(2-methoxyphenyl)-N'-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2R)-N-(2-methoxyphenyl)-N'-(3-m…

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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	-1.6	-18.73	2	7	0	79	369.421	5	↓ MOL2 SDF SMILES Flexibase

1379595

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-methoxyphenyl)-N'-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2S)-N-(2-methoxyphenyl)-N'-(3-m…

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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	-1.49	-19.99	2	7	0	79	369.421	5	↓ MOL2 SDF SMILES Flexibase

1379596

Analogs

36756537
36756538
36756587

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-methoxyphenyl)-N'-o-phenetyl-pyrrolidine-1,2-dicarboxamide (2R)-N-(2-methoxyphenyl)-N'-o-ph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.28	-1.48	-18.43	2	7	0	79	383.448	6	↓ MOL2 SDF SMILES Flexibase

1379597

Analogs

36756587

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-methoxyphenyl)-N'-o-phenetyl-pyrrolidine-1,2-dicarboxamide (2S)-N-(2-methoxyphenyl)-N'-o-ph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.28	-1.53	-19.08	2	7	0	79	383.448	6	↓ MOL2 SDF SMILES Flexibase

1379598

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N'-(2-methoxy-5-methyl-phenyl)-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2R)-N'-(2-methoxy-5-methyl-phen…

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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)	3.33	-1.17	-18.88	2	7	0	79	383.448	5	↓ MOL2 SDF SMILES Flexibase

1379599

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N'-(2-methoxy-5-methyl-phenyl)-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2S)-N'-(2-methoxy-5-methyl-phen…

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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)	3.33	-1.22	-19.56	2	7	0	79	383.448	5	↓ MOL2 SDF SMILES Flexibase

1379600

Analogs

34968587
34968588
36756587

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N'-(2,6-dimethoxyphenyl)-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2S)-N'-(2,6-dimethoxyphenyl)-N-…

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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)	2.91	-0.79	-21.12	2	8	0	89	399.447	6	↓ MOL2 SDF SMILES Flexibase

1379601

Analogs

34968587
34968588
36756587

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N'-(2,6-dimethoxyphenyl)-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2R)-N'-(2,6-dimethoxyphenyl)-N-…

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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)	2.91	-0.8	-20.42	2	8	0	89	399.447	6	↓ MOL2 SDF SMILES Flexibase

1379602

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N'-(2,4-dimethoxyphenyl)-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2R)-N'-(2,4-dimethoxyphenyl)-N-…

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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)	2.93	-1.48	-18.86	2	8	0	89	399.447	6	↓ MOL2 SDF SMILES Flexibase

1379603

Analogs

34968587
34968588

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N'-(2,4-dimethoxyphenyl)-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2S)-N'-(2,4-dimethoxyphenyl)-N-…

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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)	2.93	-1.53	-19.61	2	8	0	89	399.447	6	↓ MOL2 SDF SMILES Flexibase

1379604

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N'-(3,4-dimethoxyphenyl)-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2S)-N'-(3,4-dimethoxyphenyl)-N-…

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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)	2.54	-1.33	-21.43	2	8	0	89	399.447	6	↓ MOL2 SDF SMILES Flexibase

1379605

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N'-(3,4-dimethoxyphenyl)-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2R)-N'-(3,4-dimethoxyphenyl)-N-…

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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)	2.54	-1.29	-20.76	2	8	0	89	399.447	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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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 = 52981 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<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": "52981"        

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