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ZINC Item

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62879090

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-N-thiazol-2-yl-pyrrolidine-3-carboxamide (3S)-3-methyl-N-thiazol-2-yl-pyr…

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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)	0.70	2.73	-46.39	3	4	1	59	212.298	2	↓ MOL2 SDF SMILES Flexibase

62879092

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-N-thiazol-2-yl-pyrrolidine-3-carboxamide (3R)-3-methyl-N-thiazol-2-yl-pyr…

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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)	0.70	2.65	-46.29	3	4	1	59	212.298	2	↓ MOL2 SDF SMILES Flexibase

62879094

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-N-thiazol-2-yl-pyrrolidine-3-carboxamide (3S)-3-ethyl-N-thiazol-2-yl-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)	1.04	3.16	-47.28	3	4	1	59	226.325	3	↓ MOL2 SDF SMILES Flexibase

62879096

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-N-thiazol-2-yl-pyrrolidine-3-carboxamide (3R)-3-ethyl-N-thiazol-2-yl-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)	1.04	3.23	-45.49	3	4	1	59	226.325	3	↓ MOL2 SDF SMILES Flexibase

62879098

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-propyl-N-thiazol-2-yl-pyrrolidine-3-carboxamide (3S)-3-propyl-N-thiazol-2-yl-pyr…

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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	3.93	-47.71	3	4	1	59	240.352	4	↓ MOL2 SDF SMILES Flexibase

62879100

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-propyl-N-thiazol-2-yl-pyrrolidine-3-carboxamide (3R)-3-propyl-N-thiazol-2-yl-pyr…

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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	4	-45.89	3	4	1	59	240.352	4	↓ MOL2 SDF SMILES Flexibase

62889130

Analogs

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Popular Name: (3R)-3-methyl-N-(5-methylthiazol-2-yl)pyrrolidine-3-carboxamide (3R)-3-methyl-N-(5-methylthiazol…

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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)	0.92	3.47	-46.15	3	4	1	59	226.325	2	↓ MOL2 SDF SMILES Flexibase

62889132

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-N-(5-methylthiazol-2-yl)pyrrolidine-3-carboxamide (3S)-3-methyl-N-(5-methylthiazol…

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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)	0.92	3.53	-46.28	3	4	1	59	226.325	2	↓ MOL2 SDF SMILES Flexibase

62889135

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-N-(5-methylthiazol-2-yl)pyrrolidine-3-carboxamide (3S)-3-ethyl-N-(5-methylthiazol-…

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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	3.99	-47.26	3	4	1	59	240.352	3	↓ MOL2 SDF SMILES Flexibase

62889137

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-N-(5-methylthiazol-2-yl)pyrrolidine-3-carboxamide (3R)-3-ethyl-N-(5-methylthiazol-…

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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	4.06	-45.42	3	4	1	59	240.352	3	↓ MOL2 SDF SMILES Flexibase

62889139

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(5-methylthiazol-2-yl)-3-propyl-pyrrolidine-3-carboxamide (3S)-N-(5-methylthiazol-2-yl)-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)	1.82	4.76	-47.71	3	4	1	59	254.379	4	↓ MOL2 SDF SMILES Flexibase

62889142

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(5-methylthiazol-2-yl)-3-propyl-pyrrolidine-3-carboxamide (3R)-N-(5-methylthiazol-2-yl)-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)	1.82	4.83	-45.83	3	4	1	59	254.379	4	↓ MOL2 SDF SMILES Flexibase

62889648

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-N-(4-methylthiazol-2-yl)pyrrolidine-3-carboxamide (3R)-3-methyl-N-(4-methylthiazol…

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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)	0.92	2.9	-44.82	3	4	1	59	226.325	2	↓ MOL2 SDF SMILES Flexibase

62889649

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-N-(4-methylthiazol-2-yl)pyrrolidine-3-carboxamide (3S)-3-methyl-N-(4-methylthiazol…

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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)	0.92	2.97	-44.94	3	4	1	59	226.325	2	↓ MOL2 SDF SMILES Flexibase

62889650

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-N-(4-methylthiazol-2-yl)pyrrolidine-3-carboxamide (3S)-3-ethyl-N-(4-methylthiazol-…

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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	3.44	-45.92	3	4	1	59	240.352	3	↓ MOL2 SDF SMILES Flexibase

62889651

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-N-(4-methylthiazol-2-yl)pyrrolidine-3-carboxamide (3R)-3-ethyl-N-(4-methylthiazol-…

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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	3.51	-44.57	3	4	1	59	240.352	3	↓ MOL2 SDF SMILES Flexibase

62889652

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(4-methylthiazol-2-yl)-3-propyl-pyrrolidine-3-carboxamide (3S)-N-(4-methylthiazol-2-yl)-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)	1.82	4.21	-46.56	3	4	1	59	254.379	4	↓ MOL2 SDF SMILES Flexibase

62889653

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(4-methylthiazol-2-yl)-3-propyl-pyrrolidine-3-carboxamide (3R)-N-(4-methylthiazol-2-yl)-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)	1.82	4.28	-45.17	3	4	1	59	254.379	4	↓ MOL2 SDF SMILES Flexibase

62893765

Analogs

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Popular Name: (3S)-N-(5-bromothiazol-2-yl)-3-methyl-pyrrolidine-3-carboxamide (3S)-N-(5-bromothiazol-2-yl)-3-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)	1.64	3.45	-46.29	3	4	1	59	291.194	2	↓ MOL2 SDF SMILES Flexibase

62893766

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(5-bromothiazol-2-yl)-3-methyl-pyrrolidine-3-carboxamide (3R)-N-(5-bromothiazol-2-yl)-3-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)	1.64	3.38	-46.18	3	4	1	59	291.194	2	↓ MOL2 SDF SMILES Flexibase

62893767

Analogs

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Popular Name: (3S)-N-(5-bromothiazol-2-yl)-3-ethyl-pyrrolidine-3-carboxamide (3S)-N-(5-bromothiazol-2-yl)-3-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)	1.97	3.9	-47.2	3	4	1	59	305.221	3	↓ MOL2 SDF SMILES Flexibase

62893768

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(5-bromothiazol-2-yl)-3-ethyl-pyrrolidine-3-carboxamide (3R)-N-(5-bromothiazol-2-yl)-3-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)	1.97	3.97	-45.53	3	4	1	59	305.221	3	↓ MOL2 SDF SMILES Flexibase

62893769

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(5-bromothiazol-2-yl)-3-propyl-pyrrolidine-3-carboxamide (3S)-N-(5-bromothiazol-2-yl)-3-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)	2.53	4.67	-47.61	3	4	1	59	319.248	4	↓ MOL2 SDF SMILES Flexibase

62893770

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(5-bromothiazol-2-yl)-3-propyl-pyrrolidine-3-carboxamide (3R)-N-(5-bromothiazol-2-yl)-3-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)	2.53	4.74	-45.99	3	4	1	59	319.248	4	↓ MOL2 SDF SMILES Flexibase

62901457

Analogs

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Popular Name: (3R)-N-(4,5-dimethylthiazol-2-yl)-3-methyl-pyrrolidine-3-carboxamide (3R)-N-(4,5-dimethylthiazol-2-yl…

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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)	1.15	3.98	-46.36	3	4	1	59	240.352	2	↓ MOL2 SDF SMILES Flexibase

62901460

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(4,5-dimethylthiazol-2-yl)-3-methyl-pyrrolidine-3-carboxamide (3S)-N-(4,5-dimethylthiazol-2-yl…

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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)	1.15	4.02	-46.5	3	4	1	59	240.352	2	↓ MOL2 SDF SMILES Flexibase

62901462

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(4,5-dimethylthiazol-2-yl)-3-ethyl-pyrrolidine-3-carboxamide (3S)-N-(4,5-dimethylthiazol-2-yl…

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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)	1.48	4.5	-47.43	3	4	1	59	254.379	3	↓ MOL2 SDF SMILES Flexibase

62901463

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(4,5-dimethylthiazol-2-yl)-3-ethyl-pyrrolidine-3-carboxamide (3R)-N-(4,5-dimethylthiazol-2-yl…

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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)	1.48	4.57	-45.57	3	4	1	59	254.379	3	↓ MOL2 SDF SMILES Flexibase

62901465

Analogs

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Popular Name: (3S)-N-(4,5-dimethylthiazol-2-yl)-3-propyl-pyrrolidine-3-carboxamide (3S)-N-(4,5-dimethylthiazol-2-yl…

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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	5.27	-47.91	3	4	1	59	268.406	4	↓ MOL2 SDF SMILES Flexibase

62901467

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(4,5-dimethylthiazol-2-yl)-3-propyl-pyrrolidine-3-carboxamide (3R)-N-(4,5-dimethylthiazol-2-yl…

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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	5.34	-46.06	3	4	1	59	268.406	4	↓ MOL2 SDF SMILES Flexibase

62901502

Analogs

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Popular Name: (3R)-N-(4-ethyl-5-methyl-thiazol-2-yl)-3-methyl-pyrrolidine-3-carboxamide (3R)-N-(4-ethyl-5-methyl-thiazol…

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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)	1.72	4.38	-44.76	3	4	1	59	254.379	3	↓ MOL2 SDF SMILES Flexibase

62901504

Analogs

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Popular Name: (3S)-N-(4-ethyl-5-methyl-thiazol-2-yl)-3-methyl-pyrrolidine-3-carboxamide (3S)-N-(4-ethyl-5-methyl-thiazol…

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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)	1.72	4.43	-44.96	3	4	1	59	254.379	3	↓ MOL2 SDF SMILES Flexibase

62901506

Analogs

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Popular Name: (3R)-3-ethyl-N-(4-ethyl-5-methyl-thiazol-2-yl)pyrrolidine-3-carboxamide (3R)-3-ethyl-N-(4-ethyl-5-methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.05	5	-47.52	3	4	1	59	268.406	4	↓ MOL2 SDF SMILES Flexibase

62901509

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-N-(4-ethyl-5-methyl-thiazol-2-yl)pyrrolidine-3-carboxamide (3S)-3-ethyl-N-(4-ethyl-5-methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.05	4.96	-48.78	3	4	1	59	268.406	4	↓ MOL2 SDF SMILES Flexibase

62901511

Analogs

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Popular Name: (3S)-N-(4-ethyl-5-methyl-thiazol-2-yl)-3-propyl-pyrrolidine-3-carboxamide (3S)-N-(4-ethyl-5-methyl-thiazol…

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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)	2.61	5.68	-46.55	3	4	1	59	282.433	5	↓ MOL2 SDF SMILES Flexibase

62901513

Analogs

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Popular Name: (3R)-N-(4-ethyl-5-methyl-thiazol-2-yl)-3-propyl-pyrrolidine-3-carboxamide (3R)-N-(4-ethyl-5-methyl-thiazol…

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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)	2.61	5.75	-45.14	3	4	1	59	282.433	5	↓ MOL2 SDF SMILES Flexibase

62901643

Analogs

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Popular Name: (3R)-N-(4-isopropylthiazol-2-yl)-3-methyl-pyrrolidine-3-carboxamide (3R)-N-(4-isopropylthiazol-2-yl)…

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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)	1.98	4.17	-44.42	3	4	1	59	254.379	3	↓ MOL2 SDF SMILES Flexibase

62901646

Analogs

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Popular Name: (3S)-N-(4-isopropylthiazol-2-yl)-3-methyl-pyrrolidine-3-carboxamide (3S)-N-(4-isopropylthiazol-2-yl)…

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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)	1.98	4.24	-44.57	3	4	1	59	254.379	3	↓ MOL2 SDF SMILES Flexibase

62901648

Analogs

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Popular Name: (3S)-3-ethyl-N-(4-isopropylthiazol-2-yl)pyrrolidine-3-carboxamide (3S)-3-ethyl-N-(4-isopropylthiaz…

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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)	2.31	4.7	-45.51	3	4	1	59	268.406	4	↓ MOL2 SDF SMILES Flexibase

62901650

Analogs

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Popular Name: (3R)-3-ethyl-N-(4-isopropylthiazol-2-yl)pyrrolidine-3-carboxamide (3R)-3-ethyl-N-(4-isopropylthiaz…

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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)	2.31	4.78	-44.25	3	4	1	59	268.406	4	↓ MOL2 SDF SMILES Flexibase

62901652

Analogs

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Popular Name: (3S)-N-(4-isopropylthiazol-2-yl)-3-propyl-pyrrolidine-3-carboxamide (3S)-N-(4-isopropylthiazol-2-yl)…

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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)	2.87	5.48	-46.13	3	4	1	59	282.433	5	↓ MOL2 SDF SMILES Flexibase

62901655

Analogs

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Popular Name: (3R)-N-(4-isopropylthiazol-2-yl)-3-propyl-pyrrolidine-3-carboxamide (3R)-N-(4-isopropylthiazol-2-yl)…

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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)	2.87	5.55	-44.84	3	4	1	59	282.433	5	↓ MOL2 SDF SMILES Flexibase

62901691

Analogs

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Popular Name: (3S)-N-(4-tert-butylthiazol-2-yl)-3-methyl-pyrrolidine-3-carboxamide (3S)-N-(4-tert-butylthiazol-2-yl…

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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)	2.65	5.02	-44.22	3	4	1	59	268.406	3	↓ MOL2 SDF SMILES Flexibase

62901693

Analogs

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Popular Name: (3R)-N-(4-tert-butylthiazol-2-yl)-3-methyl-pyrrolidine-3-carboxamide (3R)-N-(4-tert-butylthiazol-2-yl…

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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)	2.65	4.94	-44.15	3	4	1	59	268.406	3	↓ MOL2 SDF SMILES Flexibase

62901695

Analogs

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Popular Name: (3S)-N-(4-tert-butylthiazol-2-yl)-3-ethyl-pyrrolidine-3-carboxamide (3S)-N-(4-tert-butylthiazol-2-yl…

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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)	2.98	5.45	-45.15	3	4	1	59	282.433	4	↓ MOL2 SDF SMILES Flexibase

62901697

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(4-tert-butylthiazol-2-yl)-3-ethyl-pyrrolidine-3-carboxamide (3R)-N-(4-tert-butylthiazol-2-yl…

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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)	2.98	5.53	-43.8	3	4	1	59	282.433	4	↓ MOL2 SDF SMILES Flexibase

62901699

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(4-tert-butylthiazol-2-yl)-3-propyl-pyrrolidine-3-carboxamide (3S)-N-(4-tert-butylthiazol-2-yl…

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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)	3.54	6.24	-45.76	3	4	1	59	296.46	5	↓ MOL2 SDF SMILES Flexibase

62901701

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(4-tert-butylthiazol-2-yl)-3-propyl-pyrrolidine-3-carboxamide (3R)-N-(4-tert-butylthiazol-2-yl…

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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)	3.54	6.3	-44.47	3	4	1	59	296.46	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 297872
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 = 297872 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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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', {
        "ring.id": "297872"        

    });
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