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ZINC Item

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46128541

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-isopropyl-5-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (3R)-1-isopropyl-5-oxo-N-[2-prop…

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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)	3.40	7.81	-12.11	1	5	0	59	372.387	7	↓ MOL2 SDF SMILES Flexibase

46128544

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-isopropyl-5-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (3S)-1-isopropyl-5-oxo-N-[2-prop…

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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)	3.40	7.86	-15.65	1	5	0	59	372.387	7	↓ MOL2 SDF SMILES Flexibase

46128548

Analogs

39918360
39918361

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-ethyl-5-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (3R)-1-ethyl-5-oxo-N-[2-propoxy-…

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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)	3.10	7.24	-12.45	1	5	0	59	358.36	7	↓ MOL2 SDF SMILES Flexibase

46128552

Analogs

39918360
39918361

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-ethyl-5-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (3S)-1-ethyl-5-oxo-N-[2-propoxy-…

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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)	3.10	7.24	-12.85	1	5	0	59	358.36	7	↓ MOL2 SDF SMILES Flexibase

53346784

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(3-chloro-2-ethoxy-phenyl)-1-ethyl-5-oxo-pyrrolidine-3-carboxamide (3R)-N-(3-chloro-2-ethoxy-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)	2.36	6.1	-11.12	1	5	0	59	310.781	5	↓ MOL2 SDF SMILES Flexibase

53346785

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(3-chloro-2-ethoxy-phenyl)-1-ethyl-5-oxo-pyrrolidine-3-carboxamide (3S)-N-(3-chloro-2-ethoxy-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)	2.36	6.11	-11.36	1	5	0	59	310.781	5	↓ MOL2 SDF SMILES Flexibase

36969132

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(3R)-1-isopropyl-5-oxo-pyrrolidine-3-carbonyl]amino]benzoic 3-[[(3R)-1-isopropyl-5-oxo-pyrro…

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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)	1.53	6.22	-63.98	1	6	-1	90	289.311	4	↓ MOL2 SDF SMILES Flexibase

36969134

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(3S)-1-isopropyl-5-oxo-pyrrolidine-3-carbonyl]amino]benzoic 3-[[(3S)-1-isopropyl-5-oxo-pyrro…

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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)	1.53	6.24	-73.29	1	6	-1	90	289.311	4	↓ MOL2 SDF SMILES Flexibase

36969166

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-3-[[(3R)-1-methyl-5-oxo-pyrrolidine-3-carbonyl]amino]benzoic 4-methyl-3-[[(3R)-1-methyl-5-oxo…

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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	5.53	-66.26	1	6	-1	90	275.284	3	↓ MOL2 SDF SMILES Flexibase

36969168

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-3-[[(3S)-1-methyl-5-oxo-pyrrolidine-3-carbonyl]amino]benzoic 4-methyl-3-[[(3S)-1-methyl-5-oxo…

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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	5.57	-70.11	1	6	-1	90	275.284	3	↓ MOL2 SDF SMILES Flexibase

36969221

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-4-[[(3R)-1-methyl-5-oxo-pyrrolidine-3-carbonyl]amino]benzoic 3-methyl-4-[[(3R)-1-methyl-5-oxo…

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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	5.5	-59.13	1	6	-1	90	275.284	3	↓ MOL2 SDF SMILES Flexibase

36969223

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-4-[[(3S)-1-methyl-5-oxo-pyrrolidine-3-carbonyl]amino]benzoic 3-methyl-4-[[(3S)-1-methyl-5-oxo…

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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	5.57	-64.05	1	6	-1	90	275.284	3	↓ MOL2 SDF SMILES Flexibase

36970983

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3R)-1-ethyl-5-oxo-pyrrolidine-3-carbonyl]amino]benzoic 2-[[(3R)-1-ethyl-5-oxo-pyrrolidi…

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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)	1.39	5.92	-46.38	1	6	-1	90	275.284	4	↓ MOL2 SDF SMILES Flexibase

36970985

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3S)-1-ethyl-5-oxo-pyrrolidine-3-carbonyl]amino]benzoic 2-[[(3S)-1-ethyl-5-oxo-pyrrolidi…

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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)	1.39	6	-46.54	1	6	-1	90	275.284	4	↓ MOL2 SDF SMILES Flexibase

36971092

Analogs

34928949
34928951

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3R)-1-isopropyl-5-oxo-pyrrolidine-3-carbonyl]amino]benzoic 4-[[(3R)-1-isopropyl-5-oxo-pyrro…

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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)	1.55	6.19	-57.88	1	6	-1	90	289.311	4	↓ MOL2 SDF SMILES Flexibase

36971094

Analogs

34928949
34928951

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3S)-1-isopropyl-5-oxo-pyrrolidine-3-carbonyl]amino]benzoic 4-[[(3S)-1-isopropyl-5-oxo-pyrro…

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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)	1.55	6.22	-62.39	1	6	-1	90	289.311	4	↓ MOL2 SDF SMILES Flexibase

36972905

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[(3R)-1-methyl-5-oxo-pyrrolidine-3-carbonyl]amino]benzoic 4-chloro-2-[[(3R)-1-methyl-5-oxo…

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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)	1.67	5.45	-41.84	1	6	-1	90	295.702	3	↓ MOL2 SDF SMILES Flexibase

36972907

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[(3S)-1-methyl-5-oxo-pyrrolidine-3-carbonyl]amino]benzoic 4-chloro-2-[[(3S)-1-methyl-5-oxo…

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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)	1.67	5.54	-44.39	1	6	-1	90	295.702	3	↓ MOL2 SDF SMILES Flexibase

36972911

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[(3R)-1-ethyl-5-oxo-pyrrolidine-3-carbonyl]amino]benzoic 4-chloro-2-[[(3R)-1-ethyl-5-oxo-…

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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	6.44	-41.82	1	6	-1	90	309.729	4	↓ MOL2 SDF SMILES Flexibase

36972913

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[(3S)-1-ethyl-5-oxo-pyrrolidine-3-carbonyl]amino]benzoic 4-chloro-2-[[(3S)-1-ethyl-5-oxo-…

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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	6.52	-41.96	1	6	-1	90	309.729	4	↓ MOL2 SDF SMILES Flexibase

36977902

Analogs

375946

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydroxy-4-[[(3R)-1-methyl-5-oxo-pyrrolidine-3-carbonyl]amino]benzoic 2-hydroxy-4-[[(3R)-1-methyl-5-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)	0.88	2.69	-59.79	2	7	-1	110	277.256	3	↓ MOL2 SDF SMILES Flexibase

36977904

Analogs

375946

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydroxy-4-[[(3S)-1-methyl-5-oxo-pyrrolidine-3-carbonyl]amino]benzoic 2-hydroxy-4-[[(3S)-1-methyl-5-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)	0.88	2.72	-64.11	2	7	-1	110	277.256	3	↓ MOL2 SDF SMILES Flexibase

36977908

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3R)-1-ethyl-5-oxo-pyrrolidine-3-carbonyl]amino]-2-hydroxy-benzoic 4-[[(3R)-1-ethyl-5-oxo-pyrrolidi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.25	3.68	-59.57	2	7	-1	110	291.283	4	↓ MOL2 SDF SMILES Flexibase

36977910

Analogs

375946

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3S)-1-ethyl-5-oxo-pyrrolidine-3-carbonyl]amino]-2-hydroxy-benzoic 4-[[(3S)-1-ethyl-5-oxo-pyrrolidi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.25	3.69	-60.4	2	7	-1	110	291.283	4	↓ MOL2 SDF SMILES Flexibase

36977944

Analogs

13261325
13261326
8270386

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-2-[[(3R)-1-methyl-5-oxo-pyrrolidine-3-carbonyl]amino]benzoic 3-methyl-2-[[(3R)-1-methyl-5-oxo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.48	5.71	-48.92	1	6	-1	90	275.284	3	↓ MOL2 SDF SMILES Flexibase

36977946

Analogs

13261325
13261326
8270386

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-2-[[(3S)-1-methyl-5-oxo-pyrrolidine-3-carbonyl]amino]benzoic 3-methyl-2-[[(3S)-1-methyl-5-oxo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.48	5.76	-59.26	1	6	-1	90	275.284	3	↓ MOL2 SDF SMILES Flexibase

36977950

Analogs

13261325
13261326
8270386

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3R)-1-ethyl-5-oxo-pyrrolidine-3-carbonyl]amino]-3-methyl-benzoic 2-[[(3R)-1-ethyl-5-oxo-pyrrolidi…

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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)	0.85	6.68	-48.8	1	6	-1	90	289.311	4	↓ MOL2 SDF SMILES Flexibase

36977952

Analogs

13261325
13261326
8270386

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3S)-1-ethyl-5-oxo-pyrrolidine-3-carbonyl]amino]-3-methyl-benzoic 2-[[(3S)-1-ethyl-5-oxo-pyrrolidi…

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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)	0.85	6.75	-53	1	6	-1	90	289.311	4	↓ MOL2 SDF SMILES Flexibase

60220216

Analogs

60220221

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Popular Name: propyl propyl

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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)	3.31	8.51	-9.75	1	6	0	76	397.269	7	↓ MOL2 SDF SMILES Flexibase

60220221

Analogs

60220216

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Popular Name: propyl propyl

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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)	3.31	8.51	-10.64	1	6	0	76	397.269	7	↓ MOL2 SDF SMILES Flexibase

52411736

Analogs

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Popular Name: (3R)-1-ethyl-5-oxo-N-phenyl-pyrrolidine-3-carboxamide (3R)-1-ethyl-5-oxo-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)	1.34	5.07	-12.26	1	4	0	49	232.283	3	↓ MOL2 SDF SMILES Flexibase

52411738

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-ethyl-5-oxo-N-phenyl-pyrrolidine-3-carboxamide (3S)-1-ethyl-5-oxo-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)	1.34	5.08	-12.52	1	4	0	49	232.283	3	↓ MOL2 SDF SMILES Flexibase

52411813

Analogs

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Popular Name: (3R)-N-(4-acetamidophenyl)-1-ethyl-5-oxo-pyrrolidine-3-carboxamide (3R)-N-(4-acetamidophenyl)-1-eth…

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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)	0.56	3.98	-20.11	2	6	0	79	289.335	4	↓ MOL2 SDF SMILES Flexibase

52411816

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(4-acetamidophenyl)-1-ethyl-5-oxo-pyrrolidine-3-carboxamide (3S)-N-(4-acetamidophenyl)-1-eth…

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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)	0.56	3.99	-20.91	2	6	0	79	289.335	4	↓ MOL2 SDF SMILES Flexibase

52411817

Analogs

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Popular Name: (3R)-1-ethyl-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (3R)-1-ethyl-5-oxo-N-[3-(trifluo…

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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)	2.22	6.08	-14.9	1	4	0	49	300.28	4	↓ MOL2 SDF SMILES Flexibase

52411820

Analogs

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Popular Name: (3S)-1-ethyl-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (3S)-1-ethyl-5-oxo-N-[3-(trifluo…

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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)	2.22	6.09	-15.51	1	4	0	49	300.28	4	↓ MOL2 SDF SMILES Flexibase

52411855

Analogs

8270627
8270630

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Popular Name: (3R)-N-(2,4-dimethylphenyl)-1-ethyl-5-oxo-pyrrolidine-3-carboxamide (3R)-N-(2,4-dimethylphenyl)-1-et…

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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)	2.17	6.57	-12.31	1	4	0	49	260.337	3	↓ MOL2 SDF SMILES Flexibase

52411858

Analogs

8270627
8270630

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(2,4-dimethylphenyl)-1-ethyl-5-oxo-pyrrolidine-3-carboxamide (3S)-N-(2,4-dimethylphenyl)-1-et…

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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)	2.17	6.58	-12.46	1	4	0	49	260.337	3	↓ MOL2 SDF SMILES Flexibase

62824059

Analogs

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Popular Name: 5-iodo-2-[[(3R)-1-methyl-5-oxo-pyrrolidine-3-carbonyl]amino]benzoic 5-iodo-2-[[(3R)-1-methyl-5-oxo-p…

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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)	2.07	6.02	-42.64	1	6	-1	90	387.153	3	↓ MOL2 SDF SMILES Flexibase

62824060

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-iodo-2-[[(3S)-1-methyl-5-oxo-pyrrolidine-3-carbonyl]amino]benzoic 5-iodo-2-[[(3S)-1-methyl-5-oxo-p…

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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)	2.07	6.11	-44.78	1	6	-1	90	387.153	3	↓ MOL2 SDF SMILES Flexibase

62824113

Analogs

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Popular Name: 2-[[(3R)-1-ethyl-5-oxo-pyrrolidine-3-carbonyl]amino]-5-iodo-benzoic 2-[[(3R)-1-ethyl-5-oxo-pyrrolidi…

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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)	2.45	7.01	-42.71	1	6	-1	90	401.18	4	↓ MOL2 SDF SMILES Flexibase

62824114

Analogs

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Popular Name: 2-[[(3S)-1-ethyl-5-oxo-pyrrolidine-3-carbonyl]amino]-5-iodo-benzoic 2-[[(3S)-1-ethyl-5-oxo-pyrrolidi…

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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)	2.45	7.09	-42.8	1	6	-1	90	401.18	4	↓ MOL2 SDF SMILES Flexibase

62825110

Analogs

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Popular Name: 3,5-dibromo-2-[[(3R)-1-methyl-5-oxo-pyrrolidine-3-carbonyl]amino]benzoic 3,5-dibromo-2-[[(3R)-1-methyl-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)	2.54	6.3	-43.7	1	6	-1	90	419.049	3	↓ MOL2 SDF SMILES Flexibase

62825111

Analogs

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Popular Name: 3,5-dibromo-2-[[(3S)-1-methyl-5-oxo-pyrrolidine-3-carbonyl]amino]benzoic 3,5-dibromo-2-[[(3S)-1-methyl-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)	2.54	6.33	-42.77	1	6	-1	90	419.049	3	↓ MOL2 SDF SMILES Flexibase

62825727

Analogs

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Popular Name: 3,5-dimethyl-2-[[(3R)-1-methyl-5-oxo-pyrrolidine-3-carbonyl]amino]benzoic 3,5-dimethyl-2-[[(3R)-1-methyl-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)	0.88	6.49	-52.56	1	6	-1	90	289.311	3	↓ MOL2 SDF SMILES Flexibase

62825728

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-2-[[(3S)-1-methyl-5-oxo-pyrrolidine-3-carbonyl]amino]benzoic 3,5-dimethyl-2-[[(3S)-1-methyl-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)	0.88	6.54	-50.13	1	6	-1	90	289.311	3	↓ MOL2 SDF SMILES Flexibase

62826424

Analogs

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Popular Name: 3-bromo-2-[[(3R)-1-methyl-5-oxo-pyrrolidine-3-carbonyl]amino]benzoic 3-bromo-2-[[(3R)-1-methyl-5-oxo-…

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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)	1.77	5.71	-47.61	1	6	-1	90	340.153	3	↓ MOL2 SDF SMILES Flexibase

62826425

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-2-[[(3S)-1-methyl-5-oxo-pyrrolidine-3-carbonyl]amino]benzoic 3-bromo-2-[[(3S)-1-methyl-5-oxo-…

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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)	1.77	5.73	-46.83	1	6	-1	90	340.153	3	↓ MOL2 SDF SMILES Flexibase

62826504

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-2-[[(3R)-1-ethyl-5-oxo-pyrrolidine-3-carbonyl]amino]benzoic 3-bromo-2-[[(3R)-1-ethyl-5-oxo-p…

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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)	2.15	6.71	-47.71	1	6	-1	90	354.18	4	↓ MOL2 SDF SMILES Flexibase

62826505

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-2-[[(3S)-1-ethyl-5-oxo-pyrrolidine-3-carbonyl]amino]benzoic 3-bromo-2-[[(3S)-1-ethyl-5-oxo-p…

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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)	2.15	6.72	-44.98	1	6	-1	90	354.18	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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