ZINC 12

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ZINC Item

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62922458

Analogs

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Popular Name: (3S)-1-(cyclopropylcarbamoyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(cyclopropylcarbamoyl)-3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.90	4.36	-51.51	1	5	-1	72	211.241	2	↓ MOL2 SDF SMILES Flexibase

62922460

Analogs

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Popular Name: (3R)-1-(cyclopropylcarbamoyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(cyclopropylcarbamoyl)-3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.90	4.49	-55.35	1	5	-1	72	211.241	2	↓ MOL2 SDF SMILES Flexibase

62922462

Analogs

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Popular Name: (3S)-1-(cyclopropylcarbamoyl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(cyclopropylcarbamoyl)-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)	1.24	4.95	-46.57	1	5	-1	72	225.268	3	↓ MOL2 SDF SMILES Flexibase

62922463

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(cyclopropylcarbamoyl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(cyclopropylcarbamoyl)-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)	1.24	4.98	-54.84	1	5	-1	72	225.268	3	↓ MOL2 SDF SMILES Flexibase

62922465

Analogs

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Popular Name: (3S)-1-(cyclopropylcarbamoyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(cyclopropylcarbamoyl)-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)	1.80	5.7	-46.98	1	5	-1	72	239.295	4	↓ MOL2 SDF SMILES Flexibase

62922467

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(cyclopropylcarbamoyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(cyclopropylcarbamoyl)-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)	1.80	5.74	-55.21	1	5	-1	72	239.295	4	↓ MOL2 SDF SMILES Flexibase

62924810

Analogs

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Popular Name: (3R)-1-[cyclopropyl(ethyl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[cyclopropyl(ethyl)carbam…

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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)	0.97	6.46	-53.54	0	5	-1	64	239.295	3	↓ MOL2 SDF SMILES Flexibase

62924811

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[cyclopropyl(ethyl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[cyclopropyl(ethyl)carbam…

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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)	0.97	6.47	-57.48	0	5	-1	64	239.295	3	↓ MOL2 SDF SMILES Flexibase

62924812

Analogs

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Popular Name: (3S)-1-[cyclopropyl(ethyl)carbamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[cyclopropyl(ethyl)carbam…

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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)	1.31	6.74	-49.68	0	5	-1	64	253.322	4	↓ MOL2 SDF SMILES Flexibase

62924813

Analogs

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Popular Name: (3R)-1-[cyclopropyl(ethyl)carbamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[cyclopropyl(ethyl)carbam…

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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)	1.31	6.66	-53.93	0	5	-1	64	253.322	4	↓ MOL2 SDF SMILES Flexibase

62924814

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[cyclopropyl(ethyl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[cyclopropyl(ethyl)carbam…

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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)	1.86	7.94	-45.42	0	5	-1	64	267.349	5	↓ MOL2 SDF SMILES Flexibase

62924815

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[cyclopropyl(ethyl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[cyclopropyl(ethyl)carbam…

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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)	1.86	7.63	-45.42	0	5	-1	64	267.349	5	↓ MOL2 SDF SMILES Flexibase

62924816

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[cyclopropyl(methyl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[cyclopropyl(methyl)carba…

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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)	0.60	5.59	-54.03	0	5	-1	64	225.268	2	↓ MOL2 SDF SMILES Flexibase

62924817

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[cyclopropyl(methyl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[cyclopropyl(methyl)carba…

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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)	0.60	5.69	-47.89	0	5	-1	64	225.268	2	↓ MOL2 SDF SMILES Flexibase

62924818

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[cyclopropyl(methyl)carbamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[cyclopropyl(methyl)carba…

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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)	0.93	6.27	-44.41	0	5	-1	64	239.295	3	↓ MOL2 SDF SMILES Flexibase

62924819

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[cyclopropyl(methyl)carbamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[cyclopropyl(methyl)carba…

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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)	0.93	6.18	-46.66	0	5	-1	64	239.295	3	↓ MOL2 SDF SMILES Flexibase

62924820

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[cyclopropyl(methyl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[cyclopropyl(methyl)carba…

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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	7.02	-44.71	0	5	-1	64	253.322	4	↓ MOL2 SDF SMILES Flexibase

62924821

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[cyclopropyl(methyl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[cyclopropyl(methyl)carba…

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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	6.94	-47.01	0	5	-1	64	253.322	4	↓ MOL2 SDF SMILES Flexibase

62924872

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[cyclopropyl(propyl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[cyclopropyl(propyl)carba…

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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)	1.47	7.15	-53.04	0	5	-1	64	253.322	4	↓ MOL2 SDF SMILES Flexibase

62924873

Analogs

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Popular Name: (3S)-1-[cyclopropyl(propyl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[cyclopropyl(propyl)carba…

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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)	1.47	7.18	-56.66	0	5	-1	64	253.322	4	↓ MOL2 SDF SMILES Flexibase

62924874

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[cyclopropyl(propyl)carbamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[cyclopropyl(propyl)carba…

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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)	1.81	7.73	-54.31	0	5	-1	64	267.349	5	↓ MOL2 SDF SMILES Flexibase

62924875

Analogs

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Popular Name: (3S)-1-[cyclopropyl(propyl)carbamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[cyclopropyl(propyl)carba…

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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)	1.81	7.72	-50.54	0	5	-1	64	267.349	5	↓ MOL2 SDF SMILES Flexibase

62924876

Analogs

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Popular Name: (3S)-1-[cyclopropyl(propyl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[cyclopropyl(propyl)carba…

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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	8.22	-49.77	0	5	-1	64	281.376	6	↓ MOL2 SDF SMILES Flexibase

62924877

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[cyclopropyl(propyl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[cyclopropyl(propyl)carba…

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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	8.11	-53.56	0	5	-1	64	281.376	6	↓ MOL2 SDF SMILES Flexibase

62926382

Analogs

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Popular Name: (3R)-1-[butyl(cyclopropyl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[butyl(cyclopropyl)carbam…

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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)	2.03	7.92	-53.15	0	5	-1	64	267.349	5	↓ MOL2 SDF SMILES Flexibase

62926383

Analogs

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Popular Name: (3S)-1-[butyl(cyclopropyl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[butyl(cyclopropyl)carbam…

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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)	2.03	7.96	-56.38	0	5	-1	64	267.349	5	↓ MOL2 SDF SMILES Flexibase

62926384

Analogs

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Popular Name: (3R)-1-[butyl(cyclopropyl)carbamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[butyl(cyclopropyl)carbam…

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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	8.49	-54.52	0	5	-1	64	281.376	6	↓ MOL2 SDF SMILES Flexibase

62926385

Analogs

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Popular Name: (3S)-1-[butyl(cyclopropyl)carbamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[butyl(cyclopropyl)carbam…

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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	8.49	-50.37	0	5	-1	64	281.376	6	↓ MOL2 SDF SMILES Flexibase

62926386

Analogs

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Popular Name: (3R)-1-[butyl(cyclopropyl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[butyl(cyclopropyl)carbam…

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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)	2.93	9.27	-55.03	0	5	-1	64	295.403	7	↓ MOL2 SDF SMILES Flexibase

62926387

Analogs

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Popular Name: (3S)-1-[butyl(cyclopropyl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[butyl(cyclopropyl)carbam…

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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)	2.93	9.25	-50.74	0	5	-1	64	295.403	7	↓ MOL2 SDF SMILES Flexibase

62926450

Analogs

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Popular Name: (3S)-1-[cyclopropyl(2-methoxyethyl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[cyclopropyl(2-methoxyeth…

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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)	0.58	5.59	-54.77	0	6	-1	73	269.321	5	↓ MOL2 SDF SMILES Flexibase

62926451

Analogs

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Popular Name: (3R)-1-[cyclopropyl(2-methoxyethyl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[cyclopropyl(2-methoxyeth…

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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)	0.58	5.26	-54.22	0	6	-1	73	269.321	5	↓ MOL2 SDF SMILES Flexibase

62926454

Analogs

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Popular Name: (3S)-1-[cyclopropyl(2-methoxyethyl)carbamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[cyclopropyl(2-methoxyeth…

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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)	0.91	5.84	-49.7	0	6	-1	73	283.348	6	↓ MOL2 SDF SMILES Flexibase

62926455

Analogs

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Popular Name: (3R)-1-[cyclopropyl(2-methoxyethyl)carbamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[cyclopropyl(2-methoxyeth…

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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)	0.91	5.76	-53.5	0	6	-1	73	283.348	6	↓ MOL2 SDF SMILES Flexibase

62926458

Analogs

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Popular Name: (3S)-1-[cyclopropyl(2-methoxyethyl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[cyclopropyl(2-methoxyeth…

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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)	1.47	6.62	-50.06	0	6	-1	73	297.375	7	↓ MOL2 SDF SMILES Flexibase

62926459

Analogs

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Popular Name: (3R)-1-[cyclopropyl(2-methoxyethyl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[cyclopropyl(2-methoxyeth…

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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)	1.47	6.51	-53.86	0	6	-1	73	297.375	7	↓ MOL2 SDF SMILES Flexibase

62934085

Analogs

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Popular Name: (3S)-1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[cyclopropyl(2-hydroxyeth…

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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)	-0.04	3.19	-54.99	1	6	-1	84	255.294	4	↓ MOL2 SDF SMILES Flexibase

62934086

Analogs

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Popular Name: (3R)-1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[cyclopropyl(2-hydroxyeth…

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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)	-0.04	2.86	-55.44	1	6	-1	84	255.294	4	↓ MOL2 SDF SMILES Flexibase

62934087

Analogs

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Popular Name: (3S)-1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[cyclopropyl(2-hydroxyeth…

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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)	0.30	3.43	-49.69	1	6	-1	84	269.321	5	↓ MOL2 SDF SMILES Flexibase

62934088

Analogs

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Popular Name: (3R)-1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[cyclopropyl(2-hydroxyeth…

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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)	0.30	3.36	-54.75	1	6	-1	84	269.321	5	↓ MOL2 SDF SMILES Flexibase

62934089

Analogs

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Popular Name: (3S)-1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[cyclopropyl(2-hydroxyeth…

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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)	0.86	4.2	-50.01	1	6	-1	84	283.348	6	↓ MOL2 SDF SMILES Flexibase

62934090

Analogs

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Popular Name: (3R)-1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[cyclopropyl(2-hydroxyeth…

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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)	0.86	4.11	-55.09	1	6	-1	84	283.348	6	↓ MOL2 SDF SMILES Flexibase

62934145

Analogs

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Popular Name: (3S)-1-[2-cyanoethyl(cyclopropyl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[2-cyanoethyl(cyclopropyl…

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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)	0.05	6.88	-54.59	0	6	-1	87	264.305	4	↓ MOL2 SDF SMILES Flexibase

62934146

Analogs

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Popular Name: (3R)-1-[2-cyanoethyl(cyclopropyl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[2-cyanoethyl(cyclopropyl…

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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)	0.05	6.58	-55.77	0	6	-1	87	264.305	4	↓ MOL2 SDF SMILES Flexibase

62934149

Analogs

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Popular Name: (3S)-1-[2-cyanoethyl(cyclopropyl)carbamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[2-cyanoethyl(cyclopropyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.39	7.16	-49.69	0	6	-1	87	278.332	5	↓ MOL2 SDF SMILES Flexibase

62934150

Analogs

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Popular Name: (3R)-1-[2-cyanoethyl(cyclopropyl)carbamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[2-cyanoethyl(cyclopropyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.39	7.08	-54.84	0	6	-1	87	278.332	5	↓ MOL2 SDF SMILES Flexibase

62934153

Analogs

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Popular Name: (3S)-1-[2-cyanoethyl(cyclopropyl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[2-cyanoethyl(cyclopropyl…

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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)	0.95	7.93	-50.05	0	6	-1	87	292.359	6	↓ MOL2 SDF SMILES Flexibase

62934154

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-cyanoethyl(cyclopropyl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[2-cyanoethyl(cyclopropyl…

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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)	0.95	7.83	-55.14	0	6	-1	87	292.359	6	↓ MOL2 SDF SMILES Flexibase

62934191

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[cyclopropyl(isobutyl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[cyclopropyl(isobutyl)car…

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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	7.65	-53.06	0	5	-1	64	267.349	4	↓ MOL2 SDF SMILES Flexibase

62934192

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[cyclopropyl(isobutyl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[cyclopropyl(isobutyl)car…

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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	7.71	-56.29	0	5	-1	64	267.349	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 309205
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 = 309205 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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