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ZINC Item

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62890246

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-N-(2-thienylmethyl)pyrrolidine-3-carboxamide (3S)-3-methyl-N-(2-thienylmethyl…

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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)	1.58	3.43	-40.05	3	3	1	46	225.337	3	↓ MOL2 SDF SMILES Flexibase

62890247

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-N-(2-thienylmethyl)pyrrolidine-3-carboxamide (3R)-3-methyl-N-(2-thienylmethyl…

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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)	1.58	3.32	-40.28	3	3	1	46	225.337	3	↓ MOL2 SDF SMILES Flexibase

62890248

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-N-(2-thienylmethyl)pyrrolidine-3-carboxamide (3S)-3-ethyl-N-(2-thienylmethyl)…

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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)	1.91	3.85	-40.55	3	3	1	46	239.364	4	↓ MOL2 SDF SMILES Flexibase

62890249

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-N-(2-thienylmethyl)pyrrolidine-3-carboxamide (3R)-3-ethyl-N-(2-thienylmethyl)…

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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)	1.91	3.92	-40.21	3	3	1	46	239.364	4	↓ MOL2 SDF SMILES Flexibase

62890250

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-propyl-N-(2-thienylmethyl)pyrrolidine-3-carboxamide (3S)-3-propyl-N-(2-thienylmethyl…

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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)	2.47	4.63	-40.89	3	3	1	46	253.391	5	↓ MOL2 SDF SMILES Flexibase

62890251

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-propyl-N-(2-thienylmethyl)pyrrolidine-3-carboxamide (3R)-3-propyl-N-(2-thienylmethyl…

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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)	2.47	4.69	-40.61	3	3	1	46	253.391	5	↓ MOL2 SDF SMILES Flexibase

62890684

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N,3-dimethyl-N-(2-thienylmethyl)pyrrolidine-3-carboxamide (3S)-N,3-dimethyl-N-(2-thienylme…

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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)	1.49	5.07	-40.98	2	3	1	37	239.364	3	↓ MOL2 SDF SMILES Flexibase

62890685

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N,3-dimethyl-N-(2-thienylmethyl)pyrrolidine-3-carboxamide (3R)-N,3-dimethyl-N-(2-thienylme…

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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)	1.49	5.01	-42.7	2	3	1	37	239.364	3	↓ MOL2 SDF SMILES Flexibase

62890688

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-methyl-3-propyl-N-(2-thienylmethyl)pyrrolidine-3-carboxamide (3S)-N-methyl-3-propyl-N-(2-thie…

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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)	2.39	6.31	-50.36	2	3	1	37	267.418	5	↓ MOL2 SDF SMILES Flexibase

62890689

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-methyl-3-propyl-N-(2-thienylmethyl)pyrrolidine-3-carboxamide (3R)-N-methyl-3-propyl-N-(2-thie…

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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)	2.39	6.32	-43.65	2	3	1	37	267.418	5	↓ MOL2 SDF SMILES Flexibase

62890726

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-N-[(1S)-1-(2-thienyl)ethyl]pyrrolidine-3-carboxamide (3R)-3-methyl-N-[(1S)-1-(2-thien…

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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)	2.14	4.16	-39.64	3	3	1	46	239.364	3	↓ MOL2 SDF SMILES Flexibase

62890727

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-N-[(1R)-1-(2-thienyl)ethyl]pyrrolidine-3-carboxamide (3R)-3-methyl-N-[(1R)-1-(2-thien…

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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)	2.14	4.15	-40	3	3	1	46	239.364	3	↓ MOL2 SDF SMILES Flexibase

62890728

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-N-[(1S)-1-(2-thienyl)ethyl]pyrrolidine-3-carboxamide (3S)-3-methyl-N-[(1S)-1-(2-thien…

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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)	2.14	4.22	-40.16	3	3	1	46	239.364	3	↓ MOL2 SDF SMILES Flexibase

62890729

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-N-[(1R)-1-(2-thienyl)ethyl]pyrrolidine-3-carboxamide (3S)-3-methyl-N-[(1R)-1-(2-thien…

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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)	2.14	4.22	-39.71	3	3	1	46	239.364	3	↓ MOL2 SDF SMILES Flexibase

62890730

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-N-[(1S)-1-(2-thienyl)ethyl]pyrrolidine-3-carboxamide (3S)-3-ethyl-N-[(1S)-1-(2-thieny…

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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)	2.47	4.66	-40.72	3	3	1	46	253.391	4	↓ MOL2 SDF SMILES Flexibase

62890731

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-N-[(1S)-1-(2-thienyl)ethyl]pyrrolidine-3-carboxamide (3R)-3-ethyl-N-[(1S)-1-(2-thieny…

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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)	2.47	4.76	-39.09	3	3	1	46	253.391	4	↓ MOL2 SDF SMILES Flexibase

62890732

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-N-[(1R)-1-(2-thienyl)ethyl]pyrrolidine-3-carboxamide (3S)-3-ethyl-N-[(1R)-1-(2-thieny…

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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)	2.47	4.68	-40.3	3	3	1	46	253.391	4	↓ MOL2 SDF SMILES Flexibase

62890733

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-N-[(1R)-1-(2-thienyl)ethyl]pyrrolidine-3-carboxamide (3R)-3-ethyl-N-[(1R)-1-(2-thieny…

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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)	2.47	4.75	-40.03	3	3	1	46	253.391	4	↓ MOL2 SDF SMILES Flexibase

62890734

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-propyl-N-[(1S)-1-(2-thienyl)ethyl]pyrrolidine-3-carboxamide (3S)-3-propyl-N-[(1S)-1-(2-thien…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.03	5.44	-41.2	3	3	1	46	267.418	5	↓ MOL2 SDF SMILES Flexibase

62890735

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-propyl-N-[(1S)-1-(2-thienyl)ethyl]pyrrolidine-3-carboxamide (3R)-3-propyl-N-[(1S)-1-(2-thien…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.03	5.52	-39.49	3	3	1	46	267.418	5	↓ MOL2 SDF SMILES Flexibase

62890736

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-propyl-N-[(1R)-1-(2-thienyl)ethyl]pyrrolidine-3-carboxamide (3S)-3-propyl-N-[(1R)-1-(2-thien…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.03	5.45	-40.68	3	3	1	46	267.418	5	↓ MOL2 SDF SMILES Flexibase

62890737

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-propyl-N-[(1R)-1-(2-thienyl)ethyl]pyrrolidine-3-carboxamide (3R)-3-propyl-N-[(1R)-1-(2-thien…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.03	5.52	-40.49	3	3	1	46	267.418	5	↓ MOL2 SDF SMILES Flexibase

62892507

Analogs

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Popular Name: (3R)-N-[(1S)-1-(5-chloro-2-thienyl)ethyl]-3-methyl-pyrrolidine-3-carboxamide (3R)-N-[(1S)-1-(5-chloro-2-thien…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.94	4.78	-39.98	3	3	1	46	273.809	3	↓ MOL2 SDF SMILES Flexibase

62892508

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R)-1-(5-chloro-2-thienyl)ethyl]-3-methyl-pyrrolidine-3-carboxamide (3R)-N-[(1R)-1-(5-chloro-2-thien…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.94	4.77	-40.31	3	3	1	46	273.809	3	↓ MOL2 SDF SMILES Flexibase

62892509

Analogs

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Popular Name: (3S)-N-[(1S)-1-(5-chloro-2-thienyl)ethyl]-3-methyl-pyrrolidine-3-carboxamide (3S)-N-[(1S)-1-(5-chloro-2-thien…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.94	4.85	-40.44	3	3	1	46	273.809	3	↓ MOL2 SDF SMILES Flexibase

62892510

Analogs

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Popular Name: (3S)-N-[(1R)-1-(5-chloro-2-thienyl)ethyl]-3-methyl-pyrrolidine-3-carboxamide (3S)-N-[(1R)-1-(5-chloro-2-thien…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.94	4.85	-40.04	3	3	1	46	273.809	3	↓ MOL2 SDF SMILES Flexibase

62892511

Analogs

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Popular Name: (3S)-N-[(1S)-1-(5-chloro-2-thienyl)ethyl]-3-ethyl-pyrrolidine-3-carboxamide (3S)-N-[(1S)-1-(5-chloro-2-thien…

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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	5.3	-40.93	3	3	1	46	287.836	4	↓ MOL2 SDF SMILES Flexibase

62892512

Analogs

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Popular Name: (3R)-N-[(1S)-1-(5-chloro-2-thienyl)ethyl]-3-ethyl-pyrrolidine-3-carboxamide (3R)-N-[(1S)-1-(5-chloro-2-thien…

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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	5.37	-39.62	3	3	1	46	287.836	4	↓ MOL2 SDF SMILES Flexibase

62892513

Analogs

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Popular Name: (3S)-N-[(1R)-1-(5-chloro-2-thienyl)ethyl]-3-ethyl-pyrrolidine-3-carboxamide (3S)-N-[(1R)-1-(5-chloro-2-thien…

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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	5.31	-40.6	3	3	1	46	287.836	4	↓ MOL2 SDF SMILES Flexibase

62892514

Analogs

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Popular Name: (3R)-N-[(1R)-1-(5-chloro-2-thienyl)ethyl]-3-ethyl-pyrrolidine-3-carboxamide (3R)-N-[(1R)-1-(5-chloro-2-thien…

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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	5.38	-40.44	3	3	1	46	287.836	4	↓ MOL2 SDF SMILES Flexibase

62892515

Analogs

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Popular Name: (3S)-N-[(1S)-1-(5-chloro-2-thienyl)ethyl]-3-propyl-pyrrolidine-3-carboxamide (3S)-N-[(1S)-1-(5-chloro-2-thien…

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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)	3.83	6.06	-41.46	3	3	1	46	301.863	5	↓ MOL2 SDF SMILES Flexibase

62892516

Analogs

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Popular Name: (3R)-N-[(1S)-1-(5-chloro-2-thienyl)ethyl]-3-propyl-pyrrolidine-3-carboxamide (3R)-N-[(1S)-1-(5-chloro-2-thien…

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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)	3.83	6.15	-40.04	3	3	1	46	301.863	5	↓ MOL2 SDF SMILES Flexibase

62892517

Analogs

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Popular Name: (3S)-N-[(1R)-1-(5-chloro-2-thienyl)ethyl]-3-propyl-pyrrolidine-3-carboxamide (3S)-N-[(1R)-1-(5-chloro-2-thien…

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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)	3.83	6.08	-40.96	3	3	1	46	301.863	5	↓ MOL2 SDF SMILES Flexibase

62892518

Analogs

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Popular Name: (3R)-N-[(1R)-1-(5-chloro-2-thienyl)ethyl]-3-propyl-pyrrolidine-3-carboxamide (3R)-N-[(1R)-1-(5-chloro-2-thien…

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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)	3.83	6.15	-40.88	3	3	1	46	301.863	5	↓ MOL2 SDF SMILES Flexibase

62893055

Analogs

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Popular Name: (3R)-3-methyl-N-[(1S)-2-methyl-1-(2-thienyl)propyl]pyrrolidine-3-carboxamide (3R)-3-methyl-N-[(1S)-2-methyl-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)	2.88	5.26	-39.05	3	3	1	46	267.418	4	↓ MOL2 SDF SMILES Flexibase

62893056

Analogs

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Popular Name: (3R)-3-methyl-N-[(1R)-2-methyl-1-(2-thienyl)propyl]pyrrolidine-3-carboxamide (3R)-3-methyl-N-[(1R)-2-methyl-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)	2.88	5.24	-39.71	3	3	1	46	267.418	4	↓ MOL2 SDF SMILES Flexibase

62893057

Analogs

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Popular Name: (3S)-3-methyl-N-[(1S)-2-methyl-1-(2-thienyl)propyl]pyrrolidine-3-carboxamide (3S)-3-methyl-N-[(1S)-2-methyl-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)	2.88	5.32	-39.9	3	3	1	46	267.418	4	↓ MOL2 SDF SMILES Flexibase

62893058

Analogs

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Popular Name: (3S)-3-methyl-N-[(1R)-2-methyl-1-(2-thienyl)propyl]pyrrolidine-3-carboxamide (3S)-3-methyl-N-[(1R)-2-methyl-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)	2.88	5.33	-39.11	3	3	1	46	267.418	4	↓ MOL2 SDF SMILES Flexibase

62893059

Analogs

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Popular Name: (3S)-3-ethyl-N-[(1R)-2-methyl-1-(2-thienyl)propyl]pyrrolidine-3-carboxamide (3S)-3-ethyl-N-[(1R)-2-methyl-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)	3.22	5.75	-38.83	3	3	1	46	281.445	5	↓ MOL2 SDF SMILES Flexibase

62893060

Analogs

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Popular Name: (3R)-3-ethyl-N-[(1R)-2-methyl-1-(2-thienyl)propyl]pyrrolidine-3-carboxamide (3R)-3-ethyl-N-[(1R)-2-methyl-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)	3.22	5.73	-40.09	3	3	1	46	281.445	5	↓ MOL2 SDF SMILES Flexibase

62893061

Analogs

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Popular Name: (3S)-3-ethyl-N-[(1S)-2-methyl-1-(2-thienyl)propyl]pyrrolidine-3-carboxamide (3S)-3-ethyl-N-[(1S)-2-methyl-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)	3.22	5.78	-40.34	3	3	1	46	281.445	5	↓ MOL2 SDF SMILES Flexibase

62893062

Analogs

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Popular Name: (3R)-3-ethyl-N-[(1S)-2-methyl-1-(2-thienyl)propyl]pyrrolidine-3-carboxamide (3R)-3-ethyl-N-[(1S)-2-methyl-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)	3.22	6.13	-38.72	3	3	1	46	281.445	5	↓ MOL2 SDF SMILES Flexibase

62893063

Analogs

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Popular Name: (3S)-N-[(1R)-2-methyl-1-(2-thienyl)propyl]-3-propyl-pyrrolidine-3-carboxamide (3S)-N-[(1R)-2-methyl-1-(2-thien…

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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)	3.78	6.52	-39.66	3	3	1	46	295.472	6	↓ MOL2 SDF SMILES Flexibase

62893064

Analogs

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Popular Name: (3R)-N-[(1R)-2-methyl-1-(2-thienyl)propyl]-3-propyl-pyrrolidine-3-carboxamide (3R)-N-[(1R)-2-methyl-1-(2-thien…

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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)	3.78	6.5	-40.53	3	3	1	46	295.472	6	↓ MOL2 SDF SMILES Flexibase

62893065

Analogs

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Popular Name: (3S)-N-[(1S)-2-methyl-1-(2-thienyl)propyl]-3-propyl-pyrrolidine-3-carboxamide (3S)-N-[(1S)-2-methyl-1-(2-thien…

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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)	3.78	6.56	-40.82	3	3	1	46	295.472	6	↓ MOL2 SDF SMILES Flexibase

62893066

Analogs

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Popular Name: (3R)-N-[(1S)-2-methyl-1-(2-thienyl)propyl]-3-propyl-pyrrolidine-3-carboxamide (3R)-N-[(1S)-2-methyl-1-(2-thien…

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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)	3.78	6.9	-39.11	3	3	1	46	295.472	6	↓ MOL2 SDF SMILES Flexibase

62893153

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)	1.59	5.3	-41.73	3	5	1	72	297.4	6	↓ MOL2 SDF SMILES Flexibase

62893154

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)	1.59	5.2	-42.99	3	5	1	72	297.4	6	↓ MOL2 SDF SMILES Flexibase

62893155

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)	1.59	5.3	-43.21	3	5	1	72	297.4	6	↓ MOL2 SDF SMILES Flexibase

62893156

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)	1.59	5.2	-41.68	3	5	1	72	297.4	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 300463 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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Embed Link to Results

<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', {
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