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ZINC Item

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57982268

Analogs

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Popular Name: (2S)-2-(2,2-dimethylpropyl)-N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide (2S)-2-(2,2-dimethylpropyl)-N-(1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.36	4.74	-12.81	2	5	0	61	250.346	3	↓ MOL2 SDF SMILES Flexibase

57982273

Analogs

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Popular Name: (2R)-2-(2,2-dimethylpropyl)-N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide (2R)-2-(2,2-dimethylpropyl)-N-(1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.36	4.7	-13	2	5	0	61	250.346	3	↓ MOL2 SDF SMILES Flexibase

62925213

Analogs

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Popular Name: (3S)-3-methyl-1-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[(1-methylpyrazo…

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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)	0.06	4.11	-57.03	1	7	-1	90	251.266	2	↓ MOL2 SDF SMILES Flexibase

62925214

Analogs

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Popular Name: (3R)-3-methyl-1-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(1-methylpyrazo…

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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)	0.06	4.24	-60.96	1	7	-1	90	251.266	2	↓ MOL2 SDF SMILES Flexibase

62925217

Analogs

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Popular Name: (3S)-3-ethyl-1-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(1-methylpyrazol…

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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	4.69	-51.51	1	7	-1	90	265.293	3	↓ MOL2 SDF SMILES Flexibase

62925218

Analogs

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Popular Name: (3R)-3-ethyl-1-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(1-methylpyrazol…

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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	4.73	-60.37	1	7	-1	90	265.293	3	↓ MOL2 SDF SMILES Flexibase

62925221

Analogs

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Popular Name: (3S)-1-[(1-methylpyrazol-4-yl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(1-methylpyrazol-4-yl)ca…

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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	5.45	-51.86	1	7	-1	90	279.32	4	↓ MOL2 SDF SMILES Flexibase

62925222

Analogs

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Popular Name: (3R)-1-[(1-methylpyrazol-4-yl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(1-methylpyrazol-4-yl)ca…

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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	5.49	-60.76	1	7	-1	90	279.32	4	↓ MOL2 SDF SMILES Flexibase

62925251

Analogs

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Popular Name: (3S)-3-methyl-1-(1H-pyrazol-4-ylcarbamoyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(1H-pyrazol-4-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)	-0.01	2.8	-55.9	2	7	-1	101	237.239	2	↓ MOL2 SDF SMILES Flexibase

62925252

Analogs

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Popular Name: (3R)-3-methyl-1-(1H-pyrazol-4-ylcarbamoyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(1H-pyrazol-4-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)	-0.01	2.92	-59.67	2	7	-1	101	237.239	2	↓ MOL2 SDF SMILES Flexibase

62925255

Analogs

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Popular Name: (3S)-3-ethyl-1-(1H-pyrazol-4-ylcarbamoyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(1H-pyrazol-4-ylc…

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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)	0.33	3.38	-50.43	2	7	-1	101	251.266	3	↓ MOL2 SDF SMILES Flexibase

62925256

Analogs

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Popular Name: (3R)-3-ethyl-1-(1H-pyrazol-4-ylcarbamoyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(1H-pyrazol-4-ylc…

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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)	0.33	3.41	-59.07	2	7	-1	101	251.266	3	↓ MOL2 SDF SMILES Flexibase

62925259

Analogs

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Popular Name: (3S)-3-propyl-1-(1H-pyrazol-4-ylcarbamoyl)pyrrolidine-3-carboxylic (3S)-3-propyl-1-(1H-pyrazol-4-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)	0.89	4.14	-50.78	2	7	-1	101	265.293	4	↓ MOL2 SDF SMILES Flexibase

62925260

Analogs

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Popular Name: (3R)-3-propyl-1-(1H-pyrazol-4-ylcarbamoyl)pyrrolidine-3-carboxylic (3R)-3-propyl-1-(1H-pyrazol-4-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)	0.89	4.18	-59.53	2	7	-1	101	265.293	4	↓ MOL2 SDF SMILES Flexibase

62925285

Analogs

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Popular Name: (3R)-1-[(1-ethylpyrazol-4-yl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(1-ethylpyrazol-4-yl)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)	0.44	4.98	-57.32	1	7	-1	90	265.293	3	↓ MOL2 SDF SMILES Flexibase

62925286

Analogs

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Popular Name: (3S)-1-[(1-ethylpyrazol-4-yl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(1-ethylpyrazol-4-yl)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)	0.44	5.07	-60.32	1	7	-1	90	265.293	3	↓ MOL2 SDF SMILES Flexibase

62925289

Analogs

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Popular Name: (3S)-3-ethyl-1-[(1-ethylpyrazol-4-yl)carbamoyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(1-ethylpyrazol-…

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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	5.55	-51.5	1	7	-1	90	279.32	4	↓ MOL2 SDF SMILES Flexibase

62925290

Analogs

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Popular Name: (3R)-3-ethyl-1-[(1-ethylpyrazol-4-yl)carbamoyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(1-ethylpyrazol-…

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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	5.59	-60.31	1	7	-1	90	279.32	4	↓ MOL2 SDF SMILES Flexibase

62925291

Analogs

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Popular Name: (3S)-1-[(1-ethylpyrazol-4-yl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(1-ethylpyrazol-4-yl)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)	1.33	6.31	-51.92	1	7	-1	90	293.347	5	↓ MOL2 SDF SMILES Flexibase

62925292

Analogs

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Popular Name: (3R)-1-[(1-ethylpyrazol-4-yl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(1-ethylpyrazol-4-yl)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)	1.33	6.36	-60.71	1	7	-1	90	293.347	5	↓ MOL2 SDF SMILES Flexibase

62925327

Analogs

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Popular Name: (3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(3,5-dimethyl-1H-pyrazol…

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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)	0.44	4	-54.59	2	7	-1	101	265.293	2	↓ MOL2 SDF SMILES Flexibase

62925328

Analogs

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Popular Name: (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(3,5-dimethyl-1H-pyrazol…

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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)	0.44	4.08	-58.38	2	7	-1	101	265.293	2	↓ MOL2 SDF SMILES Flexibase

62925329

Analogs

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Popular Name: (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[(3,5-dimethyl-1H-pyrazol…

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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	4.34	-49.68	2	7	-1	101	279.32	3	↓ MOL2 SDF SMILES Flexibase

62925330

Analogs

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Popular Name: (3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[(3,5-dimethyl-1H-pyrazol…

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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	4.37	-56.98	2	7	-1	101	279.32	3	↓ MOL2 SDF SMILES Flexibase

62925331

Analogs

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Popular Name: (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(3,5-dimethyl-1H-pyrazol…

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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)	1.33	5.09	-50.01	2	7	-1	101	293.347	4	↓ MOL2 SDF SMILES Flexibase

62925332

Analogs

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Popular Name: (3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(3,5-dimethyl-1H-pyrazol…

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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)	1.33	5.13	-57.42	2	7	-1	101	293.347	4	↓ MOL2 SDF SMILES Flexibase

62933591

Analogs

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Popular Name: (3S)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[[1-(2-methoxyethyl)pyraz…

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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	4.02	-55.95	1	8	-1	100	295.319	5	↓ MOL2 SDF SMILES Flexibase

62933592

Analogs

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Popular Name: (3R)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[[1-(2-methoxyethyl)pyraz…

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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	4.14	-59.82	1	8	-1	100	295.319	5	↓ MOL2 SDF SMILES Flexibase

62935778

Analogs

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Popular Name: (3R)-1-[(1-isopropylpyrazol-4-yl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(1-isopropylpyrazol-4-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)	0.80	5.49	-56.56	1	7	-1	90	279.32	3	↓ MOL2 SDF SMILES Flexibase

62935779

Analogs

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Popular Name: (3S)-1-[(1-isopropylpyrazol-4-yl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(1-isopropylpyrazol-4-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)	0.80	5.59	-59.54	1	7	-1	90	279.32	3	↓ MOL2 SDF SMILES Flexibase

62935780

Analogs

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Popular Name: (3S)-3-ethyl-1-[(1-isopropylpyrazol-4-yl)carbamoyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(1-isopropylpyra…

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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)	1.13	6.07	-50.74	1	7	-1	90	293.347	4	↓ MOL2 SDF SMILES Flexibase

62935781

Analogs

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Popular Name: (3R)-3-ethyl-1-[(1-isopropylpyrazol-4-yl)carbamoyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(1-isopropylpyra…

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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)	1.13	6.11	-59.66	1	7	-1	90	293.347	4	↓ MOL2 SDF SMILES Flexibase

65492919

Analogs

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Popular Name: N-[1-(2-amino-2-oxo-ethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide N-[1-(2-amino-2-oxo-ethyl)pyrazo…

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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)	-0.80	0.23	-24.34	3	7	0	93	237.263	3	↓ MOL2 SDF SMILES Flexibase

69699283

Analogs

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Popular Name: (2S)-N-(1-ethylpyrazol-4-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide (2S)-N-(1-ethylpyrazol-4-yl)-2-(…

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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	2.9	-15.96	2	6	0	70	238.291	3	↓ MOL2 SDF SMILES Flexibase

48954020

Analogs

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Popular Name: N-(1-ethylpyrazol-4-yl)pyrrolidine-1-carboxamide N-(1-ethylpyrazol-4-yl)pyrrolidi…

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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)	0.85	3.99	-13.65	1	5	0	50	208.265	2	↓ MOL2 SDF SMILES Flexibase

49516558

Analogs

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Popular Name: (2R)-N-[1-(2-amino-2-oxo-ethyl)pyrazol-4-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (2R)-N-[1-(2-amino-2-oxo-ethyl)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)	-1.44	-0.87	-26.5	4	8	0	113	267.289	4	↓ MOL2 SDF SMILES Flexibase

49548917

Analogs

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Popular Name: (2R)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]pyrrolidine-2-carboxylic (2R)-1-[[1-(2-methoxyethyl)pyraz…

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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)	-1.77	3.97	-65.12	1	8	-1	100	281.292	5	↓ MOL2 SDF SMILES Flexibase

49548918

Analogs

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Popular Name: (2S)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]pyrrolidine-2-carboxylic (2S)-1-[[1-(2-methoxyethyl)pyraz…

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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)	-1.77	4.22	-64.81	1	8	-1	100	281.292	5	↓ MOL2 SDF SMILES Flexibase

49548920

Analogs

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Popular Name: (2R,4R)-4-hydroxy-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]pyrrolidine-2-carboxylic (2R,4R)-4-hydroxy-1-[[1-(2-metho…

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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)	-2.68	0.59	-65.98	2	9	-1	120	297.291	5	↓ MOL2 SDF SMILES Flexibase

49548922

Analogs

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Popular Name: (2R,4S)-4-hydroxy-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]pyrrolidine-2-carboxylic (2R,4S)-4-hydroxy-1-[[1-(2-metho…

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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)	-2.68	0.59	-67.31	2	9	-1	120	297.291	5	↓ MOL2 SDF SMILES Flexibase

49548924

Analogs

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Popular Name: (2S,4R)-4-hydroxy-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]pyrrolidine-2-carboxylic (2S,4R)-4-hydroxy-1-[[1-(2-metho…

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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)	-2.68	0.85	-66.97	2	9	-1	120	297.291	5	↓ MOL2 SDF SMILES Flexibase

49548926

Analogs

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Popular Name: (2S,4S)-4-hydroxy-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]pyrrolidine-2-carboxylic (2S,4S)-4-hydroxy-1-[[1-(2-metho…

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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)	-2.68	0.85	-65.71	2	9	-1	120	297.291	5	↓ MOL2 SDF SMILES Flexibase

49549020

Analogs

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Popular Name: 2-[(2R)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]pyrrolidin-2-yl]acetic 2-[(2R)-1-[[1-(2-methoxyethyl)py…

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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	4.36	-59.82	1	8	-1	100	295.319	6	↓ MOL2 SDF SMILES Flexibase

49549023

Analogs

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Popular Name: 2-[(2S)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]pyrrolidin-2-yl]acetic 2-[(2S)-1-[[1-(2-methoxyethyl)py…

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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	4.29	-59.64	1	8	-1	100	295.319	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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