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ZINC Item

Suppliers, Protomers, & Similar Substances

35637924

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-isobutyl-1,5-dimethyl-pyrazol-4-yl)-pyrrolidin-1-yl-methanone (3-isobutyl-1,5-dimethyl-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)	1.45	6.85	-11.1	0	4	0	38	249.358	3	↓ MOL2 SDF SMILES Flexibase

12015524

Analogs

12015504
12015507
12015511

Draw Identity 99% 90% 80% 70%

Popular Name: (1,3-dimethylpyrazol-4-yl)-pyrrolidin-1-yl-methanone (1,3-dimethylpyrazol-4-yl)-pyrro…

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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)	-0.09	3.95	-13.28	0	4	0	38	193.25	1	↓ MOL2 SDF SMILES Flexibase

12015758

Analogs

12015740
12015745

Draw Identity 99% 90% 80% 70%

Popular Name: (1-isopropyl-3-methyl-pyrazol-4-yl)-pyrrolidin-1-yl-methanone (1-isopropyl-3-methyl-pyrazol-4-…

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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	5.33	-12.39	0	4	0	38	221.304	2	↓ MOL2 SDF SMILES Flexibase

12023864

Analogs

12023763
12023789

Draw Identity 99% 90% 80% 70%

Popular Name: (3-tert-butyl-1-methyl-pyrazol-4-yl)-pyrrolidin-1-yl-methanone (3-tert-butyl-1-methyl-pyrazol-4…

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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)	1.63	5.74	-11.15	0	4	0	38	235.331	2	↓ MOL2 SDF SMILES Flexibase

12025314

Analogs

12025234

Draw Identity 99% 90% 80% 70%

Popular Name: (3-tert-butyl-1-isopropyl-pyrazol-4-yl)-pyrrolidin-1-yl-methanone (3-tert-butyl-1-isopropyl-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)	2.37	1.35	-10.38	0	4	0	38	263.385	3	↓ MOL2 SDF SMILES Flexibase

36164141

Analogs

36164144
37791639
37841140
37841141
37841204

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N,N-dimethyl-1-(1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxamide (2S)-N,N-dimethyl-1-(1H-pyrazole…

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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	2.17	-18.43	1	6	0	69	236.275	2	↓ MOL2 SDF SMILES Flexibase

36164144

Analogs

37791639
37841140
37841141
37841204
37841205

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N,N-dimethyl-1-(1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxamide (2R)-N,N-dimethyl-1-(1H-pyrazole…

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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	2.43	-19.01	1	6	0	69	236.275	2	↓ MOL2 SDF SMILES Flexibase

36164152

Analogs

36164155
37841208
37841209
37841407
37841408

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-N,N-dimethyl-pyrrolidine-2-carboxamide (2R)-1-(3,5-dimethyl-1H-pyrazole…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.04	4.45	-19.89	1	6	0	69	264.329	2	↓ MOL2 SDF SMILES Flexibase

36164155

Analogs

37841208
37841209
37841407
37841408
36164152

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-N,N-dimethyl-pyrrolidine-2-carboxamide (2S)-1-(3,5-dimethyl-1H-pyrazole…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.04	4.62	-18.26	1	6	0	69	264.329	2	↓ MOL2 SDF SMILES Flexibase

36164724

Analogs

36165455
37841162
37841324
37841340
37841341

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(pyrrolidin-1-yl)carbonyl]-1H-pyrazole hydrochloride 4-[(pyrrolidin-1-yl)carbonyl]-1H…

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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)	-0.38	2.02	-9.85	1	4	0	49	165.196	1	↓ MOL2 SDF SMILES Flexibase

36164730

Analogs

36165459
36165480
36166018
37841163
37841327

Draw Identity 99% 90% 80% 70%

Popular Name: (3,5-dimethyl-1H-pyrazol-4-yl)-pyrrolidin-1-yl-methanone (3,5-dimethyl-1H-pyrazol-4-yl)-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)	0.06	3.52	-10.17	1	4	0	49	193.25	1	↓ MOL2 SDF SMILES Flexibase

53891547

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(1-butyl-5-chloro-3-methyl-pyrazole-4-carbonyl)pyrrolidine-3-carboxamide (3S)-1-(1-butyl-5-chloro-3-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)	0.98	3.67	-12.14	2	6	0	81	312.801	5	↓ MOL2 SDF SMILES Flexibase

53891548

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(1-butyl-5-chloro-3-methyl-pyrazole-4-carbonyl)pyrrolidine-3-carboxamide (3R)-1-(1-butyl-5-chloro-3-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)	0.98	3.65	-14.07	2	6	0	81	312.801	5	↓ MOL2 SDF SMILES Flexibase

62778065

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone [(3S)-3-(hydroxymethyl)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)	-0.92	-0.74	-12.91	2	5	0	69	195.222	2	↓ MOL2 SDF SMILES Flexibase

62778066

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone [(3R)-3-(hydroxymethyl)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)	-0.92	-0.73	-12.87	2	5	0	69	195.222	2	↓ MOL2 SDF SMILES Flexibase

62912981

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-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)	-0.73	4.29	-47.85	0	6	-1	78	236.251	2	↓ MOL2 SDF SMILES Flexibase

62912982

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-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)	-0.73	4.4	-51.57	0	6	-1	78	236.251	2	↓ MOL2 SDF SMILES Flexibase

62912991

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(1,3,5-trimethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(1,3,5-trimethyl…

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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)	-0.28	5.68	-53.61	0	6	-1	78	264.305	2	↓ MOL2 SDF SMILES Flexibase

62912992

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(1,3,5-trimethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(1,3,5-trimethyl…

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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)	-0.28	5.75	-54.99	0	6	-1	78	264.305	2	↓ MOL2 SDF SMILES Flexibase

62913011

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(1,5-dimethylpyrazole-4-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(1,5-dimethylpyrazole-4-c…

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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)	-0.50	4.83	-53.53	0	6	-1	78	250.278	2	↓ MOL2 SDF SMILES Flexibase

62913012

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(1,5-dimethylpyrazole-4-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(1,5-dimethylpyrazole-4-c…

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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)	-0.50	4.91	-51.99	0	6	-1	78	250.278	2	↓ MOL2 SDF SMILES Flexibase

62914011

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(1H-pyrazole-4-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(1H-pyrazole-4-c…

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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)	-0.79	2.98	-46.36	1	6	-1	89	222.224	2	↓ MOL2 SDF SMILES Flexibase

62914012

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(1H-pyrazole-4-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(1H-pyrazole-4-c…

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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)	-0.79	3.09	-50.01	1	6	-1	89	222.224	2	↓ MOL2 SDF SMILES Flexibase

62914013

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(3,5-dimethyl-1H-pyrazole…

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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)	-0.35	4.45	-50.54	1	6	-1	89	250.278	2	↓ MOL2 SDF SMILES Flexibase

62914014

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(3,5-dimethyl-1H-pyrazole…

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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)	-0.35	4.52	-55.89	1	6	-1	89	250.278	2	↓ MOL2 SDF SMILES Flexibase

62914542

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(1-methylpyrazole…

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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	4.86	-46.42	0	6	-1	78	250.278	3	↓ MOL2 SDF SMILES Flexibase

62914543

Analogs

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Popular Name: (3R)-3-ethyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(1-methylpyrazole…

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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	4.9	-51.04	0	6	-1	78	250.278	3	↓ MOL2 SDF SMILES Flexibase

62914552

Analogs

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Popular Name: (3S)-3-ethyl-1-(1,3,5-trimethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(1,3,5-trimethylp…

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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	6.34	-50.14	0	6	-1	78	278.332	3	↓ MOL2 SDF SMILES Flexibase

62914553

Analogs

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Popular Name: (3R)-3-ethyl-1-(1,3,5-trimethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(1,3,5-trimethylp…

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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	6.25	-54.21	0	6	-1	78	278.332	3	↓ MOL2 SDF SMILES Flexibase

62914572

Analogs

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Popular Name: (3S)-1-(1,5-dimethylpyrazole-4-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(1,5-dimethylpyrazole-4-c…

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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)	-0.17	5.38	-46.68	0	6	-1	78	264.305	3	↓ MOL2 SDF SMILES Flexibase

62914573

Analogs

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Popular Name: (3R)-1-(1,5-dimethylpyrazole-4-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(1,5-dimethylpyrazole-4-c…

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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)	-0.17	5.42	-51.63	0	6	-1	78	264.305	3	↓ MOL2 SDF SMILES Flexibase

62916193

Analogs

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Popular Name: (3S)-3-ethyl-1-(1H-pyrazole-4-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(1H-pyrazole-4-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)	-0.46	3.56	-45.21	1	6	-1	89	236.251	3	↓ MOL2 SDF SMILES Flexibase

62916195

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(1H-pyrazole-4-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(1H-pyrazole-4-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)	-0.46	3.6	-49.43	1	6	-1	89	236.251	3	↓ MOL2 SDF SMILES Flexibase

62916217

Analogs

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Popular Name: (3S)-1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(3,5-dimethyl-1H-pyrazole…

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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)	-0.02	5.09	-46.81	1	6	-1	89	264.305	3	↓ MOL2 SDF SMILES Flexibase

62916220

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Popular Name: (3R)-1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(3,5-dimethyl-1H-pyrazole…

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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)	-0.02	5	-55.06	1	6	-1	89	264.305	3	↓ MOL2 SDF SMILES Flexibase

62920556

Analogs

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Popular Name: (3S)-1-(1-methylpyrazole-4-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(1-methylpyrazole-4-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)	0.17	5.62	-46.66	0	6	-1	78	264.305	4	↓ MOL2 SDF SMILES Flexibase

62920558

Analogs

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Popular Name: (3R)-1-(1-methylpyrazole-4-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(1-methylpyrazole-4-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)	0.17	5.67	-51.29	0	6	-1	78	264.305	4	↓ MOL2 SDF SMILES Flexibase

62920627

Analogs

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Popular Name: (3S)-3-propyl-1-(1,3,5-trimethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic (3S)-3-propyl-1-(1,3,5-trimethyl…

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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)	0.61	7.11	-50.49	0	6	-1	78	292.359	4	↓ MOL2 SDF SMILES Flexibase

62920629

Analogs

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Popular Name: (3R)-3-propyl-1-(1,3,5-trimethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic (3R)-3-propyl-1-(1,3,5-trimethyl…

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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)	0.61	7	-54.57	0	6	-1	78	292.359	4	↓ MOL2 SDF SMILES Flexibase

62920730

Analogs

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Popular Name: (3S)-1-(1,5-dimethylpyrazole-4-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(1,5-dimethylpyrazole-4-c…

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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	6.14	-46.91	0	6	-1	78	278.332	4	↓ MOL2 SDF SMILES Flexibase

62920733

Analogs

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Popular Name: (3R)-1-(1,5-dimethylpyrazole-4-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(1,5-dimethylpyrazole-4-c…

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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	6.19	-51.82	0	6	-1	78	278.332	4	↓ MOL2 SDF SMILES Flexibase

62923307

Analogs

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Popular Name: (3S)-3-propyl-1-(1H-pyrazole-4-carbonyl)pyrrolidine-3-carboxylic (3S)-3-propyl-1-(1H-pyrazole-4-c…

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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)	0.10	4.31	-45.4	1	6	-1	89	250.278	4	↓ MOL2 SDF SMILES Flexibase

62923309

Analogs

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Popular Name: (3R)-3-propyl-1-(1H-pyrazole-4-carbonyl)pyrrolidine-3-carboxylic (3R)-3-propyl-1-(1H-pyrazole-4-c…

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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)	0.10	4.36	-49.66	1	6	-1	89	250.278	4	↓ MOL2 SDF SMILES Flexibase

62923318

Analogs

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Popular Name: (3S)-1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(3,5-dimethyl-1H-pyrazole…

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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)	0.54	5.86	-47.16	1	6	-1	89	278.332	4	↓ MOL2 SDF SMILES Flexibase

62923320

Analogs

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Popular Name: (3R)-1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(3,5-dimethyl-1H-pyrazole…

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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)	0.54	5.76	-55.4	1	6	-1	89	278.332	4	↓ MOL2 SDF SMILES Flexibase

62964627

Analogs

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Popular Name: [1-(3-aminopropyl)-5-methyl-pyrazol-4-yl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone [1-(3-aminopropyl)-5-methyl-pyra…

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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)	-1.27	3.92	-95.72	4	6	2	70	281.404	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-1.27	1.54	-53.72	3	6	1	69	280.396	5	↓ MOL2 SDF SMILES Flexibase

62964628

Analogs

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Popular Name: [1-(3-aminopropyl)-5-methyl-pyrazol-4-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone [1-(3-aminopropyl)-5-methyl-pyra…

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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)	-1.27	3.93	-95.56	4	6	2	70	281.404	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-1.27	1.55	-53.72	3	6	1	69	280.396	5	↓ MOL2 SDF SMILES Flexibase

62983577

Analogs

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Popular Name: (5-amino-1H-pyrazol-4-yl)-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone (5-amino-1H-pyrazol-4-yl)-[(3R)-…

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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)	-1.03	2.17	-43.43	4	6	1	79	224.288	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-1.03	2.19	-48.86	4	6	1	79	224.288	2	↓ MOL2 SDF SMILES Flexibase

62983578

Analogs

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Popular Name: (5-amino-1H-pyrazol-4-yl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone (5-amino-1H-pyrazol-4-yl)-[(3S)-…

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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)	-1.03	2.17	-43.46	4	6	1	79	224.288	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-1.03	2.19	-48.85	4	6	1	79	224.288	2	↓ MOL2 SDF SMILES Flexibase

62983763

Analogs

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Popular Name: [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone [(3R)-3-(dimethylamino)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)	-0.64	3.12	-44.43	2	5	1	53	209.273	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.64	0.73	-9.78	1	5	0	52	208.265	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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