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ZINC Item

Suppliers, Protomers, & Similar Substances

20613584

Analogs

20613585
20613690
20613691

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-benzyl-1-(3-chloro-4-fluoro-phenyl)-N-ethyl-5-oxo-pyrrolidine-3-carboxamide (3S)-N-benzyl-1-(3-chloro-4-fluo…

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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)	3.30	11.11	-18.59	0	4	0	41	374.843	5	↓ MOL2 SDF SMILES Flexibase

20613585

Analogs

20613690
20613691
20613584

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-benzyl-1-(3-chloro-4-fluoro-phenyl)-N-ethyl-5-oxo-pyrrolidine-3-carboxamide (3R)-N-benzyl-1-(3-chloro-4-fluo…

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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)	3.30	10.93	-15.54	0	4	0	41	374.843	5	↓ MOL2 SDF SMILES Flexibase

20613650

Analogs

20613651

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(3-chloro-4-fluoro-phenyl)-N-[(4-methoxyphenyl)methyl]-5-oxo-pyrrolidine-3-carboxamide (3S)-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)	2.73	7.42	-13.53	1	5	0	59	376.815	5	↓ MOL2 SDF SMILES Flexibase

20613651

Analogs

20613650

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3-chloro-4-fluoro-phenyl)-N-[(4-methoxyphenyl)methyl]-5-oxo-pyrrolidine-3-carboxamide (3R)-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)	2.73	7.41	-13.63	1	5	0	59	376.815	5	↓ MOL2 SDF SMILES Flexibase

20613668

Analogs

20613669

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-benzyl-1-(3-chloro-4-fluoro-phenyl)-5-oxo-pyrrolidine-3-carboxamide (3S)-N-benzyl-1-(3-chloro-4-fluo…

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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	8.1	-12.06	1	4	0	49	346.789	4	↓ MOL2 SDF SMILES Flexibase

20613669

Analogs

20613668

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-benzyl-1-(3-chloro-4-fluoro-phenyl)-5-oxo-pyrrolidine-3-carboxamide (3R)-N-benzyl-1-(3-chloro-4-fluo…

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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	8.09	-12.11	1	4	0	49	346.789	4	↓ MOL2 SDF SMILES Flexibase

20613680

Analogs

20613681

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(3-chloro-4-fluoro-phenyl)-5-oxo-N-(p-tolylmethyl)pyrrolidine-3-carboxamide (3S)-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)	3.12	8.77	-12	1	4	0	49	360.816	4	↓ MOL2 SDF SMILES Flexibase

20613681

Analogs

20613680

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3-chloro-4-fluoro-phenyl)-5-oxo-N-(p-tolylmethyl)pyrrolidine-3-carboxamide (3R)-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)	3.12	8.76	-12.04	1	4	0	49	360.816	4	↓ MOL2 SDF SMILES Flexibase

20613690

Analogs

20613691
20613584
20613585

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-benzyl-1-(3-chloro-4-fluoro-phenyl)-N-methyl-5-oxo-pyrrolidine-3-carboxamide (3S)-N-benzyl-1-(3-chloro-4-fluo…

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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	10.18	-19.66	0	4	0	41	360.816	4	↓ MOL2 SDF SMILES Flexibase

20613691

Analogs

20613584
20613585
20613690

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-benzyl-1-(3-chloro-4-fluoro-phenyl)-N-methyl-5-oxo-pyrrolidine-3-carboxamide (3R)-N-benzyl-1-(3-chloro-4-fluo…

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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	10.11	-17.83	0	4	0	41	360.816	4	↓ MOL2 SDF SMILES Flexibase

53595932

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)	1.61	5.8	-16.42	2	7	0	88	367.405	6	↓ MOL2 SDF SMILES Flexibase

53595933

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)	1.61	5.86	-20.91	2	7	0	88	367.405	6	↓ MOL2 SDF SMILES Flexibase

22690370

Analogs

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Popular Name: (3S)-1-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-pyrrolidine-3-carboxamide (3S)-1-(4-ethoxyphenyl)-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)	2.64	9.23	-15.44	0	6	0	59	382.46	7	↓ MOL2 SDF SMILES Flexibase

22690373

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-pyrrolidine-3-carboxamide (3R)-1-(4-ethoxyphenyl)-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)	2.64	9.21	-20.37	0	6	0	59	382.46	7	↓ MOL2 SDF SMILES Flexibase

13014584

Analogs

13014587

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Popular Name: (3S)-1-(3-isopropylphenyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-5-oxo-pyrrolidine-3-carboxam (3S)-1-(3-isopropylphenyl)-N-[[3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.67	9.95	-21.59	2	6	0	79	421.541	7	↓ MOL2 SDF SMILES Flexibase

13014587

Analogs

13014584

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3-isopropylphenyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-5-oxo-pyrrolidine-3-carboxam (3R)-1-(3-isopropylphenyl)-N-[[3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.67	9.86	-20.71	2	6	0	79	421.541	7	↓ MOL2 SDF SMILES Flexibase

13256668

Analogs

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Popular Name: (3S)-3-(4-chlorophenyl)-3-[[(3S)-5-oxo-1-(p-tolyl)pyrrolidine-3-carbonyl]amino]propanoic (3S)-3-(4-chlorophenyl)-3-[[(3S)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.83	9.81	-51.89	1	6	-1	90	399.854	6	↓ MOL2 SDF SMILES Flexibase

13256669

Analogs

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Popular Name: (3S)-3-(4-chlorophenyl)-3-[[(3R)-5-oxo-1-(p-tolyl)pyrrolidine-3-carbonyl]amino]propanoic (3S)-3-(4-chlorophenyl)-3-[[(3R)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.83	9.91	-51.21	1	6	-1	90	399.854	6	↓ MOL2 SDF SMILES Flexibase

13256670

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(4-chlorophenyl)-3-[[(3S)-5-oxo-1-(p-tolyl)pyrrolidine-3-carbonyl]amino]propanoic (3R)-3-(4-chlorophenyl)-3-[[(3S)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.83	9.12	-62.04	1	6	-1	90	399.854	6	↓ MOL2 SDF SMILES Flexibase

13256671

Analogs

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Popular Name: (3R)-3-(4-chlorophenyl)-3-[[(3R)-5-oxo-1-(p-tolyl)pyrrolidine-3-carbonyl]amino]propanoic (3R)-3-(4-chlorophenyl)-3-[[(3R)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.83	9.97	-61.62	1	6	-1	90	399.854	6	↓ MOL2 SDF SMILES Flexibase

13256672

Analogs

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Popular Name: (3S)-3-(4-chlorophenyl)-3-[[(3S)-1-(4-ethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]propanoic (3S)-3-(4-chlorophenyl)-3-[[(3S)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.30	10.57	-51.63	1	6	-1	90	413.881	7	↓ MOL2 SDF SMILES Flexibase

13256673

Analogs

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Popular Name: (3S)-3-(4-chlorophenyl)-3-[[(3R)-1-(4-ethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]propanoic (3S)-3-(4-chlorophenyl)-3-[[(3R)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.30	10.69	-50.95	1	6	-1	90	413.881	7	↓ MOL2 SDF SMILES Flexibase

13256674

Analogs

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Popular Name: (3R)-3-(4-chlorophenyl)-3-[[(3S)-1-(4-ethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]propanoic (3R)-3-(4-chlorophenyl)-3-[[(3S)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.30	9.87	-61.82	1	6	-1	90	413.881	7	↓ MOL2 SDF SMILES Flexibase

13256675

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(4-chlorophenyl)-3-[[(3R)-1-(4-ethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]propanoic (3R)-3-(4-chlorophenyl)-3-[[(3R)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.30	10.67	-62.27	1	6	-1	90	413.881	7	↓ MOL2 SDF SMILES Flexibase

13256694

Analogs

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Popular Name: (3S)-3-(4-chlorophenyl)-3-[[(3S)-1-(2,4-dimethoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]propanoi (3S)-3-(4-chlorophenyl)-3-[[(3S)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.42	8.1	-64.74	1	8	-1	108	445.879	8	↓ MOL2 SDF SMILES Flexibase

13256695

Analogs

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Popular Name: (3S)-3-(4-chlorophenyl)-3-[[(3R)-1-(2,4-dimethoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]propanoi (3S)-3-(4-chlorophenyl)-3-[[(3R)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.42	7.4	-57.85	1	8	-1	108	445.879	8	↓ MOL2 SDF SMILES Flexibase

13256696

Analogs

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Popular Name: (3R)-3-(4-chlorophenyl)-3-[[(3S)-1-(2,4-dimethoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]propanoi (3R)-3-(4-chlorophenyl)-3-[[(3S)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.42	7.41	-65.76	1	8	-1	108	445.879	8	↓ MOL2 SDF SMILES Flexibase

13256697

Analogs

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Popular Name: (3R)-3-(4-chlorophenyl)-3-[[(3R)-1-(2,4-dimethoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]propanoi (3R)-3-(4-chlorophenyl)-3-[[(3R)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.42	7.4	-64.59	1	8	-1	108	445.879	8	↓ MOL2 SDF SMILES Flexibase

13256710

Analogs

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Popular Name: (3S)-3-[[(3S)-1-(5-chloro-2-methoxy-phenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(4-chlorophenyl)pr (3S)-3-[[(3S)-1-(5-chloro-2-meth…

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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)	2.04	9.32	-61.23	1	7	-1	99	450.298	7	↓ MOL2 SDF SMILES Flexibase

13256711

Analogs

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Popular Name: (3S)-3-[[(3R)-1-(5-chloro-2-methoxy-phenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(4-chlorophenyl)pr (3S)-3-[[(3R)-1-(5-chloro-2-meth…

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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)	2.04	8.62	-57.55	1	7	-1	99	450.298	7	↓ MOL2 SDF SMILES Flexibase

13256712

Analogs

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Popular Name: (3R)-3-[[(3S)-1-(5-chloro-2-methoxy-phenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(4-chlorophenyl)pr (3R)-3-[[(3S)-1-(5-chloro-2-meth…

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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)	2.04	9.51	-53.97	1	7	-1	99	450.298	7	↓ MOL2 SDF SMILES Flexibase

13256713

Analogs

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Popular Name: (3R)-3-[[(3R)-1-(5-chloro-2-methoxy-phenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(4-chlorophenyl)pr (3R)-3-[[(3R)-1-(5-chloro-2-meth…

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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)	2.04	9.42	-54.74	1	7	-1	99	450.298	7	↓ MOL2 SDF SMILES Flexibase

13256714

Analogs

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Popular Name: (3R)-3-(4-chlorophenyl)-3-[[(3S)-1-(2-chlorophenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]propanoic (3R)-3-(4-chlorophenyl)-3-[[(3S)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.01	9.46	-55.52	1	6	-1	90	420.272	6	↓ MOL2 SDF SMILES Flexibase

13256715

Analogs

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Popular Name: (3S)-3-(4-chlorophenyl)-3-[[(3S)-1-(2-chlorophenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]propanoic (3S)-3-(4-chlorophenyl)-3-[[(3S)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.01	10.18	-62.55	1	6	-1	90	420.272	6	↓ MOL2 SDF SMILES Flexibase

13256716

Analogs

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Popular Name: (3R)-3-(4-chlorophenyl)-3-[[(3R)-1-(2-chlorophenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]propanoic (3R)-3-(4-chlorophenyl)-3-[[(3R)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.01	10.28	-52.53	1	6	-1	90	420.272	6	↓ MOL2 SDF SMILES Flexibase

13256717

Analogs

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Popular Name: (3S)-3-(4-chlorophenyl)-3-[[(3R)-1-(2-chlorophenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]propanoic (3S)-3-(4-chlorophenyl)-3-[[(3R)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.01	9.48	-55.7	1	6	-1	90	420.272	6	↓ MOL2 SDF SMILES Flexibase

13256752

Analogs

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Popular Name: (3R)-3-(4-chlorophenyl)-3-[[(3S)-1-(2-fluorophenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]propanoic (3R)-3-(4-chlorophenyl)-3-[[(3S)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.50	8.78	-56.68	1	6	-1	90	403.817	6	↓ MOL2 SDF SMILES Flexibase

13256753

Analogs

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Popular Name: (3S)-3-(4-chlorophenyl)-3-[[(3S)-1-(2-fluorophenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]propanoic (3S)-3-(4-chlorophenyl)-3-[[(3S)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.50	9.5	-67.01	1	6	-1	90	403.817	6	↓ MOL2 SDF SMILES Flexibase

13256754

Analogs

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Popular Name: (3R)-3-(4-chlorophenyl)-3-[[(3R)-1-(2-fluorophenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]propanoic (3R)-3-(4-chlorophenyl)-3-[[(3R)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.50	9.6	-53.76	1	6	-1	90	403.817	6	↓ MOL2 SDF SMILES Flexibase

13256755

Analogs

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Popular Name: (3S)-3-(4-chlorophenyl)-3-[[(3R)-1-(2-fluorophenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]propanoic (3S)-3-(4-chlorophenyl)-3-[[(3R)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.50	8.8	-56.79	1	6	-1	90	403.817	6	↓ MOL2 SDF SMILES Flexibase

13257044

Analogs

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Popular Name: (3R)-3-(3,4-dimethoxyphenyl)-3-[[(3S)-5-oxo-1-(p-tolyl)pyrrolidine-3-carbonyl]amino]propanoic (3R)-3-(3,4-dimethoxyphenyl)-3-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.80	7.83	-67.92	1	8	-1	108	425.461	8	↓ MOL2 SDF SMILES Flexibase

13257045

Analogs

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Popular Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[[(3S)-5-oxo-1-(p-tolyl)pyrrolidine-3-carbonyl]amino]propanoic (3S)-3-(3,4-dimethoxyphenyl)-3-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.80	7.92	-67.99	1	8	-1	108	425.461	8	↓ MOL2 SDF SMILES Flexibase

13257046

Analogs

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Popular Name: (3R)-3-(3,4-dimethoxyphenyl)-3-[[(3R)-5-oxo-1-(p-tolyl)pyrrolidine-3-carbonyl]amino]propanoic (3R)-3-(3,4-dimethoxyphenyl)-3-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.80	7.78	-60.9	1	8	-1	108	425.461	8	↓ MOL2 SDF SMILES Flexibase

13257047

Analogs

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Popular Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[[(3R)-5-oxo-1-(p-tolyl)pyrrolidine-3-carbonyl]amino]propanoic (3S)-3-(3,4-dimethoxyphenyl)-3-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.80	8.7	-56.3	1	8	-1	108	425.461	8	↓ MOL2 SDF SMILES Flexibase

13257048

Analogs

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Popular Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[[(3S)-1-(4-ethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]propanoic (3S)-3-(3,4-dimethoxyphenyl)-3-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.26	8.68	-67.86	1	8	-1	108	439.488	9	↓ MOL2 SDF SMILES Flexibase

13257049

Analogs

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Popular Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[[(3R)-1-(4-ethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]propanoic (3S)-3-(3,4-dimethoxyphenyl)-3-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.26	8.64	-67.5	1	8	-1	108	439.488	9	↓ MOL2 SDF SMILES Flexibase

13257050

Analogs

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Popular Name: (3R)-3-(3,4-dimethoxyphenyl)-3-[[(3S)-1-(4-ethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]propanoic (3R)-3-(3,4-dimethoxyphenyl)-3-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.26	8.6	-67.64	1	8	-1	108	439.488	9	↓ MOL2 SDF SMILES Flexibase

13257051

Analogs

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Popular Name: (3R)-3-(3,4-dimethoxyphenyl)-3-[[(3R)-1-(4-ethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]propanoic (3R)-3-(3,4-dimethoxyphenyl)-3-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.26	8.55	-68.47	1	8	-1	108	439.488	9	↓ MOL2 SDF SMILES Flexibase

13257070

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.39	6.81	-69.59	1	10	-1	126	471.486	10	↓ MOL2 SDF SMILES Flexibase

13257071

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.39	6.79	-59.13	1	10	-1	126	471.486	10	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 37049
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 = 37049 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=37049&filter.purchasability=annotated

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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": "37049"        

    });
</script>

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