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ZINC Item

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61703841

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-hydroxy-2-pyridyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (3-hydroxy-2-pyridyl)-[(3S)-3-hy…

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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)	-0.19	0.86	-53.46	1	5	-1	76	207.209	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.19	-0.14	-11.69	2	5	0	74	208.217	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.19	-1.01	-33.31	2	5	0	78	208.217	1	↓ MOL2 SDF SMILES Flexibase

61703842

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-hydroxy-2-pyridyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (3-hydroxy-2-pyridyl)-[(3R)-3-hy…

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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)	-0.19	0.93	-54.92	1	5	-1	76	207.209	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.19	-0.07	-12.69	2	5	0	74	208.217	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.19	-1.02	-30.82	2	5	0	78	208.217	1	↓ MOL2 SDF SMILES Flexibase

19436464

Analogs

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Popular Name: (2S,4R)-4-methoxy-1-(6-methylpyridine-2-carbonyl)pyrrolidine-2-carboxylic (2S,4R)-4-methoxy-1-(6-methylpyr…

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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	4.24	-66.29	0	6	-1	83	263.273	3	↓ MOL2 SDF SMILES Flexibase

19436466

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-methoxy-1-(6-methylpyridine-2-carbonyl)pyrrolidine-2-carboxylic (2S,4S)-4-methoxy-1-(6-methylpyr…

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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	4.26	-64.92	0	6	-1	83	263.273	3	↓ MOL2 SDF SMILES Flexibase

19436468

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-methoxy-1-(6-methylpyridine-2-carbonyl)pyrrolidine-2-carboxylic (2R,4R)-4-methoxy-1-(6-methylpyr…

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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	4.24	-64.86	0	6	-1	83	263.273	3	↓ MOL2 SDF SMILES Flexibase

19436470

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-methoxy-1-(6-methylpyridine-2-carbonyl)pyrrolidine-2-carboxylic (2R,4S)-4-methoxy-1-(6-methylpyr…

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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	4.23	-61.85	0	6	-1	83	263.273	3	↓ MOL2 SDF SMILES Flexibase

36756657

Analogs

40457251
44819551
44837540
44837765
44837770

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(pyrrolidin-1-yl)carbonyl]pyridine-2-carboxylic acid 6-[(pyrrolidin-1-yl)carbonyl]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)	0.25	5.22	-47.76	0	5	-1	73	219.22	2	↓ MOL2 SDF SMILES Flexibase

36756886

Analogs

44646504
44646506
45749579
45749580

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Popular Name: 6-[(2R)-2-carbamoylpyrrolidine-1-carbonyl]pyridine-2-carboxylic 6-[(2R)-2-carbamoylpyrrolidine-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)	-0.47	2.16	-56.68	2	7	-1	116	262.245	3	↓ MOL2 SDF SMILES Flexibase

36756888

Analogs

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Popular Name: 6-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]pyridine-2-carboxylic 6-[(2S)-2-carbamoylpyrrolidine-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)	-0.47	2.13	-55.85	2	7	-1	116	262.245	3	↓ MOL2 SDF SMILES Flexibase

36976269

Analogs

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Popular Name: (2R,4R)-4-hydroxy-1-(3,4,5-trichloropyridine-2-carbonyl)pyrrolidine-2-carboxylic (2R,4R)-4-hydroxy-1-(3,4,5-trich…

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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)	-0.08	3.79	-57.22	1	6	-1	94	338.554	2	↓ MOL2 SDF SMILES Flexibase

36976271

Analogs

20214967
20215035
1647269

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-hydroxy-1-(3,4,5-trichloropyridine-2-carbonyl)pyrrolidine-2-carboxylic (2R,4S)-4-hydroxy-1-(3,4,5-trich…

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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)	-0.08	3.79	-58.29	1	6	-1	94	338.554	2	↓ MOL2 SDF SMILES Flexibase

36976273

Analogs

20214967
20215035
1647269

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-hydroxy-1-(3,4,5-trichloropyridine-2-carbonyl)pyrrolidine-2-carboxylic (2S,4R)-4-hydroxy-1-(3,4,5-trich…

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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)	-0.08	4.1	-57.86	1	6	-1	94	338.554	2	↓ MOL2 SDF SMILES Flexibase

36976275

Analogs

20214967
20215035
1647269

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-hydroxy-1-(3,4,5-trichloropyridine-2-carbonyl)pyrrolidine-2-carboxylic (2S,4S)-4-hydroxy-1-(3,4,5-trich…

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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)	-0.08	4.1	-56.84	1	6	-1	94	338.554	2	↓ MOL2 SDF SMILES Flexibase

62912561

Analogs

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Popular Name: (3S)-1-(3-hydroxypyridine-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(3-hydroxypyridine-2-carb…

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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)	0.32	5.27	-111.3	0	6	-2	96	248.238	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.32	3.32	-72.88	1	6	-1	98	249.246	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.32	4.26	-55.79	1	6	-1	94	249.246	2	↓ MOL2 SDF SMILES Flexibase

62912562

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3-hydroxypyridine-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(3-hydroxypyridine-2-carb…

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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)	0.32	5.33	-113.06	0	6	-2	96	248.238	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.32	3.42	-64.32	1	6	-1	98	249.246	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.32	4.32	-54.86	1	6	-1	94	249.246	2	↓ MOL2 SDF SMILES Flexibase

62912617

Analogs

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Popular Name: (3S)-3-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(pyridine-2-carb…

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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)	0.20	5.71	-53.23	0	5	-1	73	233.247	2	↓ MOL2 SDF SMILES Flexibase

62912618

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(pyridine-2-carb…

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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)	0.20	5.76	-52.59	0	5	-1	73	233.247	2	↓ MOL2 SDF SMILES Flexibase

62912757

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(6-methylpyridine-2-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(6-methylpyridin…

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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)	0.25	6.28	-53.11	0	5	-1	73	247.274	2	↓ MOL2 SDF SMILES Flexibase

62912758

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(6-methylpyridine-2-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(6-methylpyridin…

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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)	0.25	6.33	-53.15	0	5	-1	73	247.274	2	↓ MOL2 SDF SMILES Flexibase

62913167

Analogs

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Popular Name: (3R)-1-(5-cyano-6-methyl-pyridine-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(5-cyano-6-methyl-pyridin…

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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)	0.34	6.52	-49.95	0	6	-1	97	272.284	2	↓ MOL2 SDF SMILES Flexibase

62913168

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(5-cyano-6-methyl-pyridine-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(5-cyano-6-methyl-pyridin…

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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)	0.34	6.56	-49.02	0	6	-1	97	272.284	2	↓ MOL2 SDF SMILES Flexibase

62913757

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(3,4,5-trichloropyridine-2-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(3,4,5-trichloro…

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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)	2.64	7.13	-48.16	0	5	-1	73	336.582	2	↓ MOL2 SDF SMILES Flexibase

62913758

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(3,4,5-trichloropyridine-2-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(3,4,5-trichloro…

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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)	2.64	7.19	-45.64	0	5	-1	73	336.582	2	↓ MOL2 SDF SMILES Flexibase

62914031

Analogs

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Popular Name: (3S)-1-(4-chloropyridine-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(4-chloropyridine-2-carbo…

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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)	1.21	6.2	-51.23	0	5	-1	73	267.692	2	↓ MOL2 SDF SMILES Flexibase

62914032

Analogs

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Popular Name: (3R)-1-(4-chloropyridine-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(4-chloropyridine-2-carbo…

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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)	1.21	6.26	-49.04	0	5	-1	73	267.692	2	↓ MOL2 SDF SMILES Flexibase

62914071

Analogs

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Popular Name: (3S)-1-(6-chloropyridine-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(6-chloropyridine-2-carbo…

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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)	1.22	6.1	-50.96	0	5	-1	73	267.692	2	↓ MOL2 SDF SMILES Flexibase

62914072

Analogs

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Popular Name: (3R)-1-(6-chloropyridine-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(6-chloropyridine-2-carbo…

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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)	1.22	6.17	-52.99	0	5	-1	73	267.692	2	↓ MOL2 SDF SMILES Flexibase

62914077

Analogs

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Popular Name: (3R)-3-methyl-1-(3-methylpyridine-2-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(3-methylpyridin…

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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)	0.98	6.39	-53.01	0	5	-1	73	247.274	2	↓ MOL2 SDF SMILES Flexibase

62914078

Analogs

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Popular Name: (3S)-3-methyl-1-(3-methylpyridine-2-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(3-methylpyridin…

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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)	0.98	5.51	-55.79	0	5	-1	73	247.274	2	↓ MOL2 SDF SMILES Flexibase

62914149

Analogs

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Popular Name: (3S)-1-(5-bromopyridine-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(5-bromopyridine-2-carbon…

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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)	1.18	6.3	-48.84	0	5	-1	73	312.143	2	↓ MOL2 SDF SMILES Flexibase

62914150

Analogs

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Popular Name: (3R)-1-(5-bromopyridine-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(5-bromopyridine-2-carbon…

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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)	1.18	6.36	-48.71	0	5	-1	73	312.143	2	↓ MOL2 SDF SMILES Flexibase

62914190

Analogs

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Popular Name: (3S)-3-ethyl-1-(3-hydroxypyridine-2-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(3-hydroxypyridin…

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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)	0.65	5.78	-104.89	0	6	-2	96	262.265	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.65	3.89	-78.47	1	6	-1	98	263.273	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.65	4.77	-49.74	1	6	-1	94	263.273	3	↓ MOL2 SDF SMILES Flexibase

62914191

Analogs

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Popular Name: (3R)-3-ethyl-1-(3-hydroxypyridine-2-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(3-hydroxypyridin…

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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)	0.65	5.81	-112.91	0	6	-2	96	262.265	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.65	4.8	-54.34	1	6	-1	94	263.273	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.65	3.91	-63.44	1	6	-1	98	263.273	3	↓ MOL2 SDF SMILES Flexibase

62914238

Analogs

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Popular Name: (3S)-3-ethyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(pyridine-2-carbo…

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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	6.22	-48.24	0	5	-1	73	247.274	3	↓ MOL2 SDF SMILES Flexibase

62914239

Analogs

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Popular Name: (3R)-3-ethyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(pyridine-2-carbo…

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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	6.25	-52.04	0	5	-1	73	247.274	3	↓ MOL2 SDF SMILES Flexibase

62914364

Analogs

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Popular Name: (3S)-3-ethyl-1-(6-methylpyridine-2-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(6-methylpyridine…

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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	6.8	-48.48	0	5	-1	73	261.301	3	↓ MOL2 SDF SMILES Flexibase

62914365

Analogs

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Popular Name: (3R)-3-ethyl-1-(6-methylpyridine-2-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(6-methylpyridine…

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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	6.83	-52.71	0	5	-1	73	261.301	3	↓ MOL2 SDF SMILES Flexibase

62914692

Analogs

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Popular Name: (3S)-1-(5-cyano-6-methyl-pyridine-2-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(5-cyano-6-methyl-pyridin…

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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)	0.68	7.04	-45.01	0	6	-1	97	286.311	3	↓ MOL2 SDF SMILES Flexibase

62914693

Analogs

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Popular Name: (3R)-1-(5-cyano-6-methyl-pyridine-2-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(5-cyano-6-methyl-pyridin…

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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)	0.68	7.07	-48.49	0	6	-1	97	286.311	3	↓ MOL2 SDF SMILES Flexibase

62915374

Analogs

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Popular Name: (3S)-3-ethyl-1-(3,4,5-trichloropyridine-2-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(3,4,5-trichlorop…

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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	7.64	-41.85	0	5	-1	73	350.609	3	↓ MOL2 SDF SMILES Flexibase

62915375

Analogs

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Popular Name: (3R)-3-ethyl-1-(3,4,5-trichloropyridine-2-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(3,4,5-trichlorop…

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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	7.67	-44.96	0	5	-1	73	350.609	3	↓ MOL2 SDF SMILES Flexibase

62916355

Analogs

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Popular Name: (3S)-1-(4-chloropyridine-2-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(4-chloropyridine-2-carbo…

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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)	1.55	6.71	-45.15	0	5	-1	73	281.719	3	↓ MOL2 SDF SMILES Flexibase

62916357

Analogs

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Popular Name: (3R)-1-(4-chloropyridine-2-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(4-chloropyridine-2-carbo…

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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)	1.55	6.74	-48.47	0	5	-1	73	281.719	3	↓ MOL2 SDF SMILES Flexibase

62916580

Analogs

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Popular Name: (3S)-1-(6-chloropyridine-2-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(6-chloropyridine-2-carbo…

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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)	1.55	6.62	-48.21	0	5	-1	73	281.719	3	↓ MOL2 SDF SMILES Flexibase

62916583

Analogs

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Popular Name: (3R)-1-(6-chloropyridine-2-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(6-chloropyridine-2-carbo…

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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)	1.55	6.65	-52.3	0	5	-1	73	281.719	3	↓ MOL2 SDF SMILES Flexibase

62916627

Analogs

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Popular Name: (3S)-3-ethyl-1-(3-methylpyridine-2-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(3-methylpyridine…

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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)	1.32	5.99	-49.44	0	5	-1	73	261.301	3	↓ MOL2 SDF SMILES Flexibase

62916630

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(3-methylpyridine-2-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(3-methylpyridine…

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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)	1.32	6.02	-59.97	0	5	-1	73	261.301	3	↓ MOL2 SDF SMILES Flexibase

62916896

Analogs

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Popular Name: (3S)-1-(5-bromopyridine-2-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(5-bromopyridine-2-carbon…

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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)	1.51	6.81	-44.32	0	5	-1	73	326.17	3	↓ MOL2 SDF SMILES Flexibase

62916899

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(5-bromopyridine-2-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(5-bromopyridine-2-carbon…

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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)	1.51	6.84	-48.07	0	5	-1	73	326.17	3	↓ MOL2 SDF SMILES Flexibase

62918527

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(3-hydroxypyridine-2-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(3-hydroxypyridine-2-carb…

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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)	1.21	6.54	-105.57	0	6	-2	96	276.292	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.21	4.65	-79.01	1	6	-1	98	277.3	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.21	5.53	-50.11	1	6	-1	94	277.3	4	↓ 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

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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