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ZINC Item

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36338244

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methyl-pentanoic (2S)-2-[[(2S)-1-(cyclopropanecar…

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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)	-0.83	7.38	-65.09	1	6	-1	90	295.359	6	↓ MOL2 SDF SMILES Flexibase

36338245

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methyl-pentanoic (2R)-2-[[(2S)-1-(cyclopropanecar…

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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)	-0.83	7.4	-73.47	1	6	-1	90	295.359	6	↓ MOL2 SDF SMILES Flexibase

36338246

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2R)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methyl-pentanoic (2S)-2-[[(2R)-1-(cyclopropanecar…

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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)	-0.83	7.56	-73.55	1	6	-1	90	295.359	6	↓ MOL2 SDF SMILES Flexibase

36338247

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(2R)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methyl-pentanoic (2R)-2-[[(2R)-1-(cyclopropanecar…

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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)	-0.83	7.56	-64.71	1	6	-1	90	295.359	6	↓ MOL2 SDF SMILES Flexibase

36972217

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-2-[[(2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-3-hydroxy-butanoic (2S,3S)-2-[[(2S)-1-(cyclopropane…

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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)	-2.46	3.08	-69.67	2	7	-1	110	283.304	5	↓ MOL2 SDF SMILES Flexibase

36972219

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-2-[[(2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-3-hydroxy-butanoic (2S,3R)-2-[[(2S)-1-(cyclopropane…

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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)	-2.46	3.21	-66.94	2	7	-1	110	283.304	5	↓ MOL2 SDF SMILES Flexibase

36972221

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-2-[[(2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-3-hydroxy-butanoic (2R,3S)-2-[[(2S)-1-(cyclopropane…

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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)	-2.46	3.25	-75.25	2	7	-1	110	283.304	5	↓ MOL2 SDF SMILES Flexibase

36972223

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-2-[[(2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-3-hydroxy-butanoic (2R,3R)-2-[[(2S)-1-(cyclopropane…

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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)	-2.46	3.68	-77.67	2	7	-1	110	283.304	5	↓ MOL2 SDF SMILES Flexibase

36973078

Analogs

37993662
37993663

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2R)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]acetic 2-[[(2R)-1-(cyclopropanecarbonyl…

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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	4.54	-53.09	1	6	-1	90	239.251	4	↓ MOL2 SDF SMILES Flexibase

36973080

Analogs

37993662
37993663
37994258
37994259

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]acetic 2-[[(2S)-1-(cyclopropanecarbonyl…

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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	4.78	-55.5	1	6	-1	90	239.251	4	↓ MOL2 SDF SMILES Flexibase

36973354

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2R)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]propanoic 3-[[(2R)-1-(cyclopropanecarbonyl…

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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)	-0.45	5.19	-60.9	1	6	-1	90	253.278	5	↓ MOL2 SDF SMILES Flexibase

36973356

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]propanoic 3-[[(2S)-1-(cyclopropanecarbonyl…

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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)	-0.45	5.42	-62.82	1	6	-1	90	253.278	5	↓ MOL2 SDF SMILES Flexibase

36973912

Analogs

39799040
39799042
39813612
39813616
39813620

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]propanoic (2S)-2-[[(2S)-1-(cyclopropanecar…

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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)	-1.85	5.3	-52.77	1	6	-1	90	253.278	4	↓ MOL2 SDF SMILES Flexibase

36973914

Analogs

39799040
39799042
39813612
39813616
39813620

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]propanoic (2R)-2-[[(2S)-1-(cyclopropanecar…

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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)	-1.85	5.26	-56.23	1	6	-1	90	253.278	4	↓ MOL2 SDF SMILES Flexibase

36973916

Analogs

39799040
39799042
39813612
39813616
39813620

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2R)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]propanoic (2S)-2-[[(2R)-1-(cyclopropanecar…

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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)	-1.85	5.55	-55.7	1	6	-1	90	253.278	4	↓ MOL2 SDF SMILES Flexibase

36973918

Analogs

37993662
37993663
39799040
39799042
39813612

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(2R)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]propanoic (2R)-2-[[(2R)-1-(cyclopropanecar…

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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)	-1.85	5.53	-53.2	1	6	-1	90	253.278	4	↓ MOL2 SDF SMILES Flexibase

58517974

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonitrile (2R)-1-(cyclopropanecarbonyl)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)	0.71	4.78	-13.26	0	3	0	44	164.208	1	↓ MOL2 SDF SMILES Flexibase

58517976

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonitrile (2S)-1-(cyclopropanecarbonyl)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)	0.71	4.77	-13.45	0	3	0	44	164.208	1	↓ MOL2 SDF SMILES Flexibase

15935319

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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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)	3.25	2.66	-14.08	4	9	0	128	441.569	11	↓ MOL2 SDF SMILES Flexibase

69073283

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2R)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]oxyacetic 2-[[(2R)-1-(cyclopropanecarbonyl…

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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)	-0.77	5.81	-65.99	1	7	-1	99	255.25	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.58	2.76	-126.02	0	7	-2	105	254.242	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.58	3.71	-139.52	0	7	-2	105	254.242	5	↓ MOL2 SDF SMILES Flexibase

69073285

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]oxyacetic 2-[[(2S)-1-(cyclopropanecarbonyl…

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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)	-0.77	5.92	-68.44	1	7	-1	99	255.25	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.58	4.61	-143.05	0	7	-2	105	254.242	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.58	4.1	-125.93	0	7	-2	105	254.242	5	↓ MOL2 SDF SMILES Flexibase

62912649

Analogs

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Popular Name: (3S)-1-(cyclopropanecarbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(cyclopropanecarbonyl)-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)	0.53	5.37	-52.05	0	4	-1	60	196.226	2	↓ MOL2 SDF SMILES Flexibase

62912650

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(cyclopropanecarbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(cyclopropanecarbonyl)-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)	0.53	5.45	-55.43	0	4	-1	60	196.226	2	↓ MOL2 SDF SMILES Flexibase

62912695

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-[(1S,2R)-2-methylcyclopropanecarbonyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(1S,2R)-2-methy…

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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)	1.14	6.09	-51.25	0	4	-1	60	210.253	2	↓ MOL2 SDF SMILES Flexibase

62912696

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-[(1S,2S)-2-methylcyclopropanecarbonyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(1S,2S)-2-methy…

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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)	1.14	6.05	-51.73	0	4	-1	60	210.253	2	↓ MOL2 SDF SMILES Flexibase

62912697

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-[(1R,2R)-2-methylcyclopropanecarbonyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(1R,2R)-2-methy…

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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)	1.14	6.07	-51.73	0	4	-1	60	210.253	2	↓ MOL2 SDF SMILES Flexibase

62912698

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-[(1R,2S)-2-methylcyclopropanecarbonyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(1R,2S)-2-methy…

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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)	1.14	6.12	-51.34	0	4	-1	60	210.253	2	↓ MOL2 SDF SMILES Flexibase

62914266

Analogs

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Popular Name: (3S)-1-(cyclopropanecarbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(cyclopropanecarbonyl)-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)	0.86	6.03	-46.99	0	4	-1	60	210.253	3	↓ MOL2 SDF SMILES Flexibase

62914267

Analogs

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Popular Name: (3R)-1-(cyclopropanecarbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(cyclopropanecarbonyl)-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)	0.86	5.94	-54.71	0	4	-1	60	210.253	3	↓ MOL2 SDF SMILES Flexibase

62914306

Analogs

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Popular Name: (3S)-3-ethyl-1-[(1R,2S)-2-methylcyclopropanecarbonyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(1R,2S)-2-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)	1.47	6.75	-46.69	0	4	-1	60	224.28	3	↓ MOL2 SDF SMILES Flexibase

62914307

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[(1R,2S)-2-methylcyclopropanecarbonyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(1R,2S)-2-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)	1.47	6.66	-54.11	0	4	-1	60	224.28	3	↓ MOL2 SDF SMILES Flexibase

62914308

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-[(1S,2S)-2-methylcyclopropanecarbonyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(1S,2S)-2-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)	1.47	6.69	-46.97	0	4	-1	60	224.28	3	↓ MOL2 SDF SMILES Flexibase

62914309

Analogs

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Popular Name: (3R)-3-ethyl-1-[(1S,2S)-2-methylcyclopropanecarbonyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(1S,2S)-2-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)	1.47	6.6	-54.54	0	4	-1	60	224.28	3	↓ MOL2 SDF SMILES Flexibase

62919123

Analogs

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Popular Name: (3S)-1-(cyclopropanecarbonyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(cyclopropanecarbonyl)-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)	1.42	6.8	-47.41	0	4	-1	60	224.28	4	↓ MOL2 SDF SMILES Flexibase

62919124

Analogs

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Popular Name: (3R)-1-(cyclopropanecarbonyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(cyclopropanecarbonyl)-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)	1.42	6.69	-54.86	0	4	-1	60	224.28	4	↓ MOL2 SDF SMILES Flexibase

62919368

Analogs

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Popular Name: (3S)-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(1R,2S)-2-methylcyclopro…

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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	7.51	-47.04	0	4	-1	60	238.307	4	↓ MOL2 SDF SMILES Flexibase

62919370

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(1R,2S)-2-methylcyclopro…

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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	7.41	-54.46	0	4	-1	60	238.307	4	↓ MOL2 SDF SMILES Flexibase

62919371

Analogs

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Popular Name: (3S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(1S,2S)-2-methylcyclopro…

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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	7.46	-47.36	0	4	-1	60	238.307	4	↓ MOL2 SDF SMILES Flexibase

62919372

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(1S,2S)-2-methylcyclopro…

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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	7.36	-54.91	0	4	-1	60	238.307	4	↓ MOL2 SDF SMILES Flexibase

62966022

Analogs

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Popular Name: (1S,2R)-2-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]cyclopropanecarboxylic (1S,2R)-2-[(3R)-3-(dimethylamino…

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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)	0.16	6.1	-66.98	1	5	0	65	226.276	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.16	3.74	-54.53	0	5	-1	64	225.268	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.16	4.18	-48.54	2	5	1	62	227.284	3	↓ MOL2 SDF SMILES Flexibase

62966023

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]cyclopropanecarboxylic (1S,2R)-2-[(3S)-3-(dimethylamino…

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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)	0.16	6.1	-68.56	1	5	0	65	226.276	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.16	3.69	-55.84	0	5	-1	64	225.268	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.16	4.18	-48.65	2	5	1	62	227.284	3	↓ MOL2 SDF SMILES Flexibase

62966024

Analogs

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Popular Name: (1S,2S)-2-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]cyclopropanecarboxylic (1S,2S)-2-[(3R)-3-(dimethylamino…

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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)	0.16	6.17	-73.51	1	5	0	65	226.276	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.16	3.78	-48.6	0	5	-1	64	225.268	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.16	4.18	-44.33	2	5	1	62	227.284	3	↓ MOL2 SDF SMILES Flexibase

62966025

Analogs

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Popular Name: (1S,2S)-2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]cyclopropanecarboxylic (1S,2S)-2-[(3S)-3-(dimethylamino…

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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)	0.16	6.17	-73.13	1	5	0	65	226.276	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.16	3.76	-48.3	0	5	-1	64	225.268	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.16	4.17	-44.16	2	5	1	62	227.284	3	↓ MOL2 SDF SMILES Flexibase

62976227

Analogs

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Popular Name: (1S,2R)-2-[(3R)-3-(diethylamino)pyrrolidine-1-carbonyl]cyclopropanecarboxylic (1S,2R)-2-[(3R)-3-(diethylamino)…

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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	7.2	-64.71	1	5	0	65	254.33	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.91	5.23	-54.62	0	5	-1	64	253.322	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.91	5.03	-43.96	2	5	1	62	255.338	5	↓ MOL2 SDF SMILES Flexibase

62976228

Analogs

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Popular Name: (1S,2R)-2-[(3S)-3-(diethylamino)pyrrolidine-1-carbonyl]cyclopropanecarboxylic (1S,2R)-2-[(3S)-3-(diethylamino)…

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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	7.15	-64.77	1	5	0	65	254.33	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.91	5.09	-55.61	0	5	-1	64	253.322	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.91	5.08	-44.11	2	5	1	62	255.338	5	↓ MOL2 SDF SMILES Flexibase

62976229

Analogs

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Popular Name: (1S,2S)-2-[(3R)-3-(diethylamino)pyrrolidine-1-carbonyl]cyclopropanecarboxylic (1S,2S)-2-[(3R)-3-(diethylamino)…

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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	7.22	-70.48	1	5	0	65	254.33	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.91	5.2	-48.38	0	5	-1	64	253.322	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.91	5.24	-42.06	2	5	1	62	255.338	5	↓ MOL2 SDF SMILES Flexibase

62976230

Analogs

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Popular Name: (1S,2S)-2-[(3S)-3-(diethylamino)pyrrolidine-1-carbonyl]cyclopropanecarboxylic (1S,2S)-2-[(3S)-3-(diethylamino)…

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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	7.21	-70.37	1	5	0	65	254.33	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.91	5.05	-48.3	0	5	-1	64	253.322	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.91	5.21	-42.05	2	5	1	62	255.338	5	↓ MOL2 SDF SMILES Flexibase

62983677

Analogs

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Popular Name: 1-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]cyclopropanecarboxylic 1-[(3R)-3-(dimethylamino)pyrroli…

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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)	-0.49	5.79	-68.21	1	5	0	65	226.276	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.49	3.39	-50.65	0	5	-1	64	225.268	3	↓ MOL2 SDF SMILES Flexibase

62983678

Analogs

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Popular Name: 1-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]cyclopropanecarboxylic 1-[(3S)-3-(dimethylamino)pyrroli…

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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)	-0.49	5.81	-72.44	1	5	0	65	226.276	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.49	3.4	-51.42	0	5	-1	64	225.268	3	↓ MOL2 SDF SMILES Flexibase

70187315

Analogs

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Popular Name: (2S)-1-(cyclopropanecarbonyl)-N-methyl-pyrrolidine-2-carboxamide (2S)-1-(cyclopropanecarbonyl)-N-…

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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)	0.03	3.63	-17.19	1	4	0	49	196.25	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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