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ZINC Item

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52918769

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(2-aminophenyl)ethyl]pyrrolidin-2-one 1-[2-(2-aminophenyl)ethyl]pyrrol…

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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)	1.30	4.98	-8.11	2	3	0	46	204.273	3	↓ MOL2 SDF SMILES Flexibase

11799299

Analogs

11993807
11993808

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(3-chloro-5-ethoxy-4-methoxy-phenyl)ethyl]-5-oxo-pyrrolidine-3-carboxylic (3S)-1-[2-(3-chloro-5-ethoxy-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)	2.04	0.72	-50.11	0	6	-1	79	340.783	7	↓ MOL2 SDF SMILES Flexibase

11799301

Analogs

11993807
11993808

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(3-chloro-5-ethoxy-4-methoxy-phenyl)ethyl]-5-oxo-pyrrolidine-3-carboxylic (3R)-1-[2-(3-chloro-5-ethoxy-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)	2.04	0.72	-48.69	0	6	-1	79	340.783	7	↓ MOL2 SDF SMILES Flexibase

11800073

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(2-ethoxy-3-methoxy-phenyl)ethyl]-5-oxo-pyrrolidine-3-carboxylic (3S)-1-[2-(2-ethoxy-3-methoxy-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)	1.41	0.83	-54.46	0	6	-1	79	306.338	7	↓ MOL2 SDF SMILES Flexibase

11800076

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(2-ethoxy-3-methoxy-phenyl)ethyl]-5-oxo-pyrrolidine-3-carboxylic (3R)-1-[2-(2-ethoxy-3-methoxy-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)	1.41	0.82	-54.68	0	6	-1	79	306.338	7	↓ MOL2 SDF SMILES Flexibase

11800086

Analogs

11962722
11962724

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-[2-(2-diethylaminoethoxy)-3-methoxy-phenyl]ethyl]-5-oxo-pyrrolidine-3-carboxylic (3S)-1-[2-[2-(2-diethylaminoetho…

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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)	1.82	1.71	-47.08	1	7	0	83	378.469	11	↓ MOL2 SDF SMILES Flexibase

11800089

Analogs

11962722
11962724

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[2-(2-diethylaminoethoxy)-3-methoxy-phenyl]ethyl]-5-oxo-pyrrolidine-3-carboxylic (3R)-1-[2-[2-(2-diethylaminoetho…

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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)	1.82	1.63	-55.58	1	7	0	83	378.469	11	↓ MOL2 SDF SMILES Flexibase

11800830

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(4-butoxy-3-ethoxy-phenyl)ethyl]-5-oxo-pyrrolidine-3-carboxylic (3S)-1-[2-(4-butoxy-3-ethoxy-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)	2.68	0.88	-46.17	0	6	-1	79	348.419	10	↓ MOL2 SDF SMILES Flexibase

11800832

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(4-butoxy-3-ethoxy-phenyl)ethyl]-5-oxo-pyrrolidine-3-carboxylic (3R)-1-[2-(4-butoxy-3-ethoxy-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)	2.68	0.88	-45.91	0	6	-1	79	348.419	10	↓ MOL2 SDF SMILES Flexibase

11801050

Analogs

11960316
11960321

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(4-methoxy-3-pentoxy-phenyl)ethyl]-5-oxo-pyrrolidine-3-carboxylic (3S)-1-[2-(4-methoxy-3-pentoxy-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)	2.81	0.99	-46.27	0	6	-1	79	348.419	10	↓ MOL2 SDF SMILES Flexibase

11801051

Analogs

11960316
11960321

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(4-methoxy-3-pentoxy-phenyl)ethyl]-5-oxo-pyrrolidine-3-carboxylic (3R)-1-[2-(4-methoxy-3-pentoxy-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)	2.81	0.99	-45.99	0	6	-1	79	348.419	10	↓ MOL2 SDF SMILES Flexibase

11801061

Analogs

11994264
11994265

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-[2-(2-diethylaminoethoxy)phenyl]ethyl]-5-oxo-pyrrolidine-3-carboxylic (3S)-1-[2-[2-(2-diethylaminoetho…

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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	1.4	-59.17	1	6	0	74	348.443	10	↓ MOL2 SDF SMILES Flexibase

11801062

Analogs

11994264
11994265

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[2-(2-diethylaminoethoxy)phenyl]ethyl]-5-oxo-pyrrolidine-3-carboxylic (3R)-1-[2-[2-(2-diethylaminoetho…

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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	1.25	-63.36	1	6	0	74	348.443	10	↓ MOL2 SDF SMILES Flexibase

11801245

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(3-ethoxy-4-hexoxy-phenyl)ethyl]-5-oxo-pyrrolidine-3-carboxylic (3S)-1-[2-(3-ethoxy-4-hexoxy-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)	3.69	1.12	-46.07	0	6	-1	79	376.473	12	↓ MOL2 SDF SMILES Flexibase

11801246

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(3-ethoxy-4-hexoxy-phenyl)ethyl]-5-oxo-pyrrolidine-3-carboxylic (3R)-1-[2-(3-ethoxy-4-hexoxy-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)	3.69	1.12	-45.76	0	6	-1	79	376.473	12	↓ MOL2 SDF SMILES Flexibase

11801254

Analogs

11993269
11993270

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-[5-chloro-2-(2-diethylaminoethoxy)phenyl]ethyl]-5-oxo-pyrrolidine-3-carboxylic (3S)-1-[2-[5-chloro-2-(2-diethyl…

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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)	2.66	1.13	-57.79	1	6	0	74	382.888	10	↓ MOL2 SDF SMILES Flexibase

11801255

Analogs

11993269
11993270

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[5-chloro-2-(2-diethylaminoethoxy)phenyl]ethyl]-5-oxo-pyrrolidine-3-carboxylic (3R)-1-[2-[5-chloro-2-(2-diethyl…

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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)	2.66	1.33	-68.01	1	6	0	74	382.888	10	↓ MOL2 SDF SMILES Flexibase

11802090

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-[4-(2-dimethylaminoethoxy)-3-methoxy-phenyl]ethyl]-5-oxo-pyrrolidine-3-carboxylic (3S)-1-[2-[4-(2-dimethylaminoeth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.89	1.38	-68.42	1	7	0	83	350.415	9	↓ MOL2 SDF SMILES Flexibase

11802092

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[4-(2-dimethylaminoethoxy)-3-methoxy-phenyl]ethyl]-5-oxo-pyrrolidine-3-carboxylic (3R)-1-[2-[4-(2-dimethylaminoeth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.89	1.35	-68.65	1	7	0	83	350.415	9	↓ MOL2 SDF SMILES Flexibase

11802364

Analogs

11954446
11954450

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-[2-(2-dimethylaminoethoxy)-4-methoxy-phenyl]ethyl]-5-oxo-pyrrolidine-3-carboxylic (3S)-1-[2-[2-(2-dimethylaminoeth…

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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)	1.29	1.17	-71.47	1	7	0	83	350.415	9	↓ MOL2 SDF SMILES Flexibase

11802366

Analogs

11954446
11954450

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[2-(2-dimethylaminoethoxy)-4-methoxy-phenyl]ethyl]-5-oxo-pyrrolidine-3-carboxylic (3R)-1-[2-[2-(2-dimethylaminoeth…

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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)	1.29	1.14	-63.78	1	7	0	83	350.415	9	↓ MOL2 SDF SMILES Flexibase

11802557

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(5-chloro-2-pentoxy-phenyl)ethyl]-5-oxo-pyrrolidine-3-carboxylic (3S)-1-[2-(5-chloro-2-pentoxy-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)	3.82	0.6	-49.39	0	5	-1	70	352.838	9	↓ MOL2 SDF SMILES Flexibase

11802559

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(5-chloro-2-pentoxy-phenyl)ethyl]-5-oxo-pyrrolidine-3-carboxylic (3R)-1-[2-(5-chloro-2-pentoxy-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)	3.82	0.6	-51.06	0	5	-1	70	352.838	9	↓ MOL2 SDF SMILES Flexibase

11804559

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(4-isopropoxy-3-methoxy-phenyl)ethyl]-5-oxo-pyrrolidine-3-carboxylic (3S)-1-[2-(4-isopropoxy-3-methox…

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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)	1.60	0.95	-46.51	0	6	-1	79	320.365	7	↓ MOL2 SDF SMILES Flexibase

11804561

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(4-isopropoxy-3-methoxy-phenyl)ethyl]-5-oxo-pyrrolidine-3-carboxylic (3R)-1-[2-(4-isopropoxy-3-methox…

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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)	1.60	0.95	-46.23	0	6	-1	79	320.365	7	↓ MOL2 SDF SMILES Flexibase

11812874

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxo-pyrrolidin-3-yl]-4-methyl-2-oxo-pentanamide N-[(3R)-1-[2-(3-chlorophenyl)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)	2.17	-0.48	-12.74	1	5	0	66	350.846	7	↓ MOL2 SDF SMILES Flexibase

11812876

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxo-pyrrolidin-3-yl]-4-methyl-2-oxo-pentanamide N-[(3S)-1-[2-(3-chlorophenyl)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)	2.17	-0.5	-12.88	1	5	0	66	350.846	7	↓ MOL2 SDF SMILES Flexibase

11814192

Analogs

11814194

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(dimethylsulfamoylamino)-2-oxo-1-phenethyl-pyrrolidine (4R)-4-(dimethylsulfamoylamino)-…

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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)	0.75	-5.35	-14.94	1	6	0	70	311.407	6	↓ MOL2 SDF SMILES Flexibase

11814194

Analogs

11814192

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(dimethylsulfamoylamino)-2-oxo-1-phenethyl-pyrrolidine (4S)-4-(dimethylsulfamoylamino)-…

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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)	0.75	-5.22	-16.53	1	6	0	70	311.407	6	↓ MOL2 SDF SMILES Flexibase

11814291

Analogs

11814293

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxo-pyrrolidin-3-yl]-2-methylsulfanyl-acetamide N-[(3R)-1-[2-(3-chlorophenyl)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)	1.87	-1.55	-16.65	1	4	0	49	326.849	6	↓ MOL2 SDF SMILES Flexibase

11814293

Analogs

11814291

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxo-pyrrolidin-3-yl]-2-methylsulfanyl-acetamide N-[(3S)-1-[2-(3-chlorophenyl)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)	1.87	-1.54	-16.39	1	4	0	49	326.849	6	↓ MOL2 SDF SMILES Flexibase

11814923

Analogs

11814925

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[2-(3-chlorophenyl)ethyl]-4-(4,4,4-trifluorobutylamino)pyrrolidin-2-one (4R)-1-[2-(3-chlorophenyl)ethyl]…

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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)	3.49	1.33	-61.99	2	3	1	37	349.804	8	↓ MOL2 SDF SMILES Flexibase

11814925

Analogs

11814923

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[2-(3-chlorophenyl)ethyl]-4-(4,4,4-trifluorobutylamino)pyrrolidin-2-one (4S)-1-[2-(3-chlorophenyl)ethyl]…

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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)	3.49	1.33	-64.82	2	3	1	37	349.804	8	↓ MOL2 SDF SMILES Flexibase

11815511

Analogs

11815513
42165426
42165427

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-[2-(allylamino)ethyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one (5R)-5-[2-(allylamino)ethyl]-1-[…

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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)	2.37	0.72	-60.17	2	3	1	37	291.39	8	↓ MOL2 SDF SMILES Flexibase

11815513

Analogs

42165426
42165427
11815511

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-[2-(allylamino)ethyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one (5S)-5-[2-(allylamino)ethyl]-1-[…

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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)	2.37	0.9	-54.63	2	3	1	37	291.39	8	↓ MOL2 SDF SMILES Flexibase

11822329

Analogs

11822331

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-[3-chloro-4-(2-dimethylaminoethoxy)-5-methoxy-phenyl]ethyl]-5-oxo-pyrrolidine-3-carboxylic (3S)-1-[2-[3-chloro-4-(2-dimethy…

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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)	1.70	1.38	-70.31	1	7	0	83	384.86	9	↓ MOL2 SDF SMILES Flexibase

11822331

Analogs

11822329

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[3-chloro-4-(2-dimethylaminoethoxy)-5-methoxy-phenyl]ethyl]-5-oxo-pyrrolidine-3-carboxylic (3R)-1-[2-[3-chloro-4-(2-dimethy…

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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)	1.70	1.34	-68.21	1	7	0	83	384.86	9	↓ MOL2 SDF SMILES Flexibase

11822344

Analogs

11822345

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(4-butoxy-3-chloro-5-ethoxy-phenyl)ethyl]-5-oxo-pyrrolidine-3-carboxylic (3S)-1-[2-(4-butoxy-3-chloro-5-e…

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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)	3.48	0.87	-50.03	0	6	-1	79	382.864	10	↓ MOL2 SDF SMILES Flexibase

11822345

Analogs

11822344

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(4-butoxy-3-chloro-5-ethoxy-phenyl)ethyl]-5-oxo-pyrrolidine-3-carboxylic (3R)-1-[2-(4-butoxy-3-chloro-5-e…

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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)	3.48	0.87	-48.11	0	6	-1	79	382.864	10	↓ MOL2 SDF SMILES Flexibase

11822421

Analogs

11822424
11957290
11957294
11994199
11994200

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(3-methoxy-4-propoxy-phenyl)ethyl]-5-oxo-pyrrolidine-3-carboxylic (3S)-1-[2-(3-methoxy-4-propoxy-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)	1.74	0.75	-46.31	0	6	-1	79	320.365	8	↓ MOL2 SDF SMILES Flexibase

11822424

Analogs

11957290
11957294
11994199
11994200
11822421

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(3-methoxy-4-propoxy-phenyl)ethyl]-5-oxo-pyrrolidine-3-carboxylic (3R)-1-[2-(3-methoxy-4-propoxy-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)	1.74	0.75	-46	0	6	-1	79	320.365	8	↓ MOL2 SDF SMILES Flexibase

11822662

Analogs

11822664
11884886
11884892
11886638
11886643

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-[3-(2-dimethylaminoethoxy)phenyl]ethyl]-5-oxo-pyrrolidine-3-carboxylic (3S)-1-[2-[3-(2-dimethylaminoeth…

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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)	1.28	1.07	-66.68	1	6	0	74	320.389	8	↓ MOL2 SDF SMILES Flexibase

11822664

Analogs

11884886
11884892
11886638
11886643
11822662

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[3-(2-dimethylaminoethoxy)phenyl]ethyl]-5-oxo-pyrrolidine-3-carboxylic (3R)-1-[2-[3-(2-dimethylaminoeth…

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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)	1.28	1.07	-71.43	1	6	0	74	320.389	8	↓ MOL2 SDF SMILES Flexibase

36112541

Analogs

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Popular Name: (3R)-N-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-pyrrolidine-3-carboxamide (3R)-N-butyl-1-[2-(3,4-dimethoxy…

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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)	2.16	6.69	-16.12	1	6	0	68	348.443	9	↓ MOL2 SDF SMILES Flexibase

36112545

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-pyrrolidine-3-carboxamide (3S)-N-butyl-1-[2-(3,4-dimethoxy…

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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)	2.16	6.69	-15.64	1	6	0	68	348.443	9	↓ MOL2 SDF SMILES Flexibase

11824867

Analogs

11824871

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5-oxo-1-[2-(4-pentoxyphenyl)ethyl]pyrrolidine-3-carboxylic (3S)-5-oxo-1-[2-(4-pentoxyphenyl…

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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	0.67	-49.36	0	5	-1	70	318.393	9	↓ MOL2 SDF SMILES Flexibase

11824871

Analogs

11824867

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-5-oxo-1-[2-(4-pentoxyphenyl)ethyl]pyrrolidine-3-carboxylic (3R)-5-oxo-1-[2-(4-pentoxyphenyl…

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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	0.67	-43.94	0	5	-1	70	318.393	9	↓ MOL2 SDF SMILES Flexibase

11825212

Analogs

11825216

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(5-chloro-2-propoxy-phenyl)ethyl]-5-oxo-pyrrolidine-3-carboxylic (3S)-1-[2-(5-chloro-2-propoxy-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)	2.76	0.36	-49.45	0	5	-1	70	324.784	7	↓ MOL2 SDF SMILES Flexibase

11825216

Analogs

11825212

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(5-chloro-2-propoxy-phenyl)ethyl]-5-oxo-pyrrolidine-3-carboxylic (3R)-1-[2-(5-chloro-2-propoxy-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)	2.76	0.36	-51.06	0	5	-1	70	324.784	7	↓ MOL2 SDF SMILES Flexibase

11825420

Analogs

11825422

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(3-chloro-4,5-dimethoxy-phenyl)ethyl]-5-oxo-pyrrolidine-3-carboxylic (3S)-1-[2-(3-chloro-4,5-dimethox…

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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	0.71	-50.31	0	6	-1	79	326.756	6	↓ MOL2 SDF SMILES Flexibase

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Structural Results Found: (before additional filtering)

SQL Query Was

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