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ZINC Item

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1379416

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.86	7.59	-19.38	2	5	0	61	359.376	4	↓ MOL2 SDF SMILES Flexibase

1379417

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.86	7.61	-17.26	2	5	0	61	359.376	4	↓ MOL2 SDF SMILES Flexibase

1379418

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	7.63	-16.56	2	5	0	61	359.376	4	↓ MOL2 SDF SMILES Flexibase

1379419

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	7.66	-16.83	2	5	0	61	359.376	4	↓ MOL2 SDF SMILES Flexibase

1379420

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-fluorophenyl)-N'-p-anisyl-pyrrolidine-1,2-dicarboxamide (2R)-N-(4-fluorophenyl)-N'-p-ani…

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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)	2.81	-1.8	-17.55	2	6	0	70	371.412	5	↓ MOL2 SDF SMILES Flexibase

1379421

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-fluorophenyl)-N'-p-anisyl-pyrrolidine-1,2-dicarboxamide (2S)-N-(4-fluorophenyl)-N'-p-ani…

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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)	2.81	-1.65	-17.94	2	6	0	70	371.412	5	↓ MOL2 SDF SMILES Flexibase

1379440

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-fluorophenyl)-N'-(4-methylbenzyl)pyrrolidine-1,2-dicarboxamide (2R)-N-(4-fluorophenyl)-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)	3.20	8.24	-16.56	2	5	0	61	355.413	4	↓ MOL2 SDF SMILES Flexibase

1379441

Analogs

1343143
1343145

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-fluorophenyl)-N'-(4-methylbenzyl)pyrrolidine-1,2-dicarboxamide (2S)-N-(4-fluorophenyl)-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)	3.20	8.27	-16.77	2	5	0	61	355.413	4	↓ MOL2 SDF SMILES Flexibase

1379450

Analogs

34945876

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N'-(2-fluorobenzyl)-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2S)-N'-(2-fluorobenzyl)-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)	2.76	-1.71	-20.72	2	6	0	70	371.412	5	↓ MOL2 SDF SMILES Flexibase

1379451

Analogs

34945876

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N'-(2-fluorobenzyl)-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2R)-N'-(2-fluorobenzyl)-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)	2.76	-1.88	-18.32	2	6	0	70	371.412	5	↓ MOL2 SDF SMILES Flexibase

1379452

Analogs

34945876
34967925
34967927
34967930
34967932

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N'-(4-fluorobenzyl)-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2S)-N'-(4-fluorobenzyl)-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)	2.81	6.87	-17.45	2	6	0	71	371.412	5	↓ MOL2 SDF SMILES Flexibase

1379453

Analogs

34945876
34967925
34967927
34967930
34967932

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N'-(4-fluorobenzyl)-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2R)-N'-(4-fluorobenzyl)-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)	2.81	6.88	-17.37	2	6	0	71	371.412	5	↓ MOL2 SDF SMILES Flexibase

1379454

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N'-(2-chlorobenzyl)-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2S)-N'-(2-chlorobenzyl)-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)	3.27	7.21	-17.32	2	6	0	71	387.867	5	↓ MOL2 SDF SMILES Flexibase

1379455

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N'-(2-chlorobenzyl)-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2R)-N'-(2-chlorobenzyl)-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)	3.27	7.23	-18.8	2	6	0	71	387.867	5	↓ MOL2 SDF SMILES Flexibase

1379566

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.15	-1.39	-20.34	2	5	0	61	355.413	4	↓ MOL2 SDF SMILES Flexibase

1379567

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.15	-1.54	-17.45	2	5	0	61	355.413	4	↓ MOL2 SDF SMILES Flexibase

1379578

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N'-(2-chlorobenzyl)-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2S)-N'-(2-chlorobenzyl)-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)	3.22	7.32	-17.53	2	6	0	71	387.867	5	↓ MOL2 SDF SMILES Flexibase

1379579

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N'-(2-chlorobenzyl)-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2R)-N'-(2-chlorobenzyl)-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)	3.22	7.37	-18.84	2	6	0	71	387.867	5	↓ MOL2 SDF SMILES Flexibase

1379618

Analogs

34932037
34932038
34933393
34933394
34933396

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-methoxyphenyl)-N'-(4-methylbenzyl)pyrrolidine-1,2-dicarboxamide (2R)-N-(2-methoxyphenyl)-N'-(4-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)	3.04	-2.11	-17.33	2	6	0	70	367.449	5	↓ MOL2 SDF SMILES Flexibase

1379619

Analogs

34932037
34932038
34933393
34933394
34933396

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-methoxyphenyl)-N'-(4-methylbenzyl)pyrrolidine-1,2-dicarboxamide (2S)-N-(2-methoxyphenyl)-N'-(4-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)	3.04	7.61	-17.38	2	6	0	71	367.449	5	↓ MOL2 SDF SMILES Flexibase

1379710

Analogs

4380391
4380394
4380399
4380408
34930421

Draw Identity 99% 90% 80% 70%

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

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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)	2.59	7.46	-19.5	2	5	0	61	323.396	4	↓ MOL2 SDF SMILES Flexibase

1379711

Analogs

4380391
4380394
4380399
4380408
34930421

Draw Identity 99% 90% 80% 70%

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

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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)	2.59	7.47	-19.42	2	5	0	61	323.396	4	↓ MOL2 SDF SMILES Flexibase

1379716

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.70	7.53	-17.52	2	5	0	61	341.386	4	↓ MOL2 SDF SMILES Flexibase

1379717

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.70	7.54	-19.83	2	5	0	61	341.386	4	↓ MOL2 SDF SMILES Flexibase

1379718

Analogs

1343143
1343145

Draw Identity 99% 90% 80% 70%

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

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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)	2.75	7.57	-16.99	2	5	0	61	341.386	4	↓ MOL2 SDF SMILES Flexibase

1379719

Analogs

1343143
1343145

Draw Identity 99% 90% 80% 70%

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

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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)	2.75	7.59	-16.76	2	5	0	61	341.386	4	↓ MOL2 SDF SMILES Flexibase

1379742

Analogs

34932037
34932038
34933393
34933394
34933396

Draw Identity 99% 90% 80% 70%

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

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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)	2.59	6.91	-17.74	2	6	0	71	353.422	5	↓ MOL2 SDF SMILES Flexibase

1379743

Analogs

34932037
34932038
34933393
34933394
34933396

Draw Identity 99% 90% 80% 70%

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

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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)	2.59	6.96	-17.39	2	6	0	71	353.422	5	↓ MOL2 SDF SMILES Flexibase

1379754

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N'-(2-fluorobenzyl)-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2S)-N'-(2-fluorobenzyl)-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)	2.71	6.93	-18.31	2	6	0	71	371.412	5	↓ MOL2 SDF SMILES Flexibase

1379755

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N'-(2-fluorobenzyl)-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2R)-N'-(2-fluorobenzyl)-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)	2.71	6.98	-20.24	2	6	0	71	371.412	5	↓ MOL2 SDF SMILES Flexibase

1379756

Analogs

699521

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N'-(4-fluorobenzyl)-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2S)-N'-(4-fluorobenzyl)-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)	2.76	6.97	-17.62	2	6	0	71	371.412	5	↓ MOL2 SDF SMILES Flexibase

1379757

Analogs

699521

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N'-(4-fluorobenzyl)-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2R)-N'-(4-fluorobenzyl)-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)	2.76	7.02	-17.26	2	6	0	71	371.412	5	↓ MOL2 SDF SMILES Flexibase

1379770

Analogs

34931256
34931259
34931261
34931264
34933408

Draw Identity 99% 90% 80% 70%

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

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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)	2.62	6.78	-17.38	2	6	0	71	353.422	5	↓ MOL2 SDF SMILES Flexibase

1379771

Analogs

34931256
34931259
34931261
34931264
34933408

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

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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)	2.62	6.82	-17.34	2	6	0	71	353.422	5	↓ MOL2 SDF SMILES Flexibase

1379854

Analogs

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

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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)	3.38	8.04	-18.9	2	5	0	61	375.831	4	↓ MOL2 SDF SMILES Flexibase

1379855

Analogs

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

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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)	3.38	8.07	-16.79	2	5	0	61	375.831	4	↓ MOL2 SDF SMILES Flexibase

1379856

Analogs

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

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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	8.09	-16.08	2	5	0	61	375.831	4	↓ MOL2 SDF SMILES Flexibase

1379857

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	8.11	-16.28	2	5	0	61	375.831	4	↓ MOL2 SDF SMILES Flexibase

1379858

Analogs

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

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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)	3.89	-2.84	-15.58	2	5	0	61	392.286	4	↓ MOL2 SDF SMILES Flexibase

1379859

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.89	-2.7	-17.74	2	5	0	61	392.286	4	↓ MOL2 SDF SMILES Flexibase

69519019

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N2-benzyl-N2-methyl-N1-phenyl-pyrrolidine-1,2-dicarboxamide (2S)-N2-benzyl-N2-methyl-N1-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)	2.83	9.49	-19.15	1	5	0	53	337.423	4	↓ MOL2 SDF SMILES Flexibase

69519021

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N2-benzyl-N2-methyl-N1-phenyl-pyrrolidine-1,2-dicarboxamide (2R)-N2-benzyl-N2-methyl-N1-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)	2.83	9.53	-19.83	1	5	0	53	337.423	4	↓ MOL2 SDF SMILES Flexibase

69812187

Analogs

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Popular Name: (2R)-N2-[(3-cyanophenyl)methyl]-N1-phenyl-pyrrolidine-1,2-dicarboxamide (2R)-N2-[(3-cyanophenyl)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)	2.32	7.9	-20.89	2	6	0	85	348.406	4	↓ MOL2 SDF SMILES Flexibase

69812190

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N2-[(3-cyanophenyl)methyl]-N1-phenyl-pyrrolidine-1,2-dicarboxamide (2S)-N2-[(3-cyanophenyl)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)	2.32	7.89	-18.96	2	6	0	85	348.406	4	↓ 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 = 225499 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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