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ZINC Item

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20001977

Analogs

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Popular Name: (2S,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxy-pyrrolidine-2-carboxylic (2S,4R)-1-[(3,5-dimethyl-1H-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)	-2.12	0.65	-57.38	1	8	-1	115	302.332	4	↓ MOL2 SDF SMILES Flexibase

20001980

Analogs

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Popular Name: (2S,4S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxy-pyrrolidine-2-carboxylic (2S,4S)-1-[(3,5-dimethyl-1H-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)	-2.12	0.84	-63.06	1	8	-1	115	302.332	4	↓ MOL2 SDF SMILES Flexibase

20001984

Analogs

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Popular Name: (2R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxy-pyrrolidine-2-carboxylic (2R,4R)-1-[(3,5-dimethyl-1H-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)	-2.12	0.42	-64.15	1	8	-1	115	302.332	4	↓ MOL2 SDF SMILES Flexibase

20001987

Analogs

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Popular Name: (2R,4S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxy-pyrrolidine-2-carboxylic (2R,4S)-1-[(3,5-dimethyl-1H-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)	-2.12	0.8	-58.2	1	8	-1	115	302.332	4	↓ MOL2 SDF SMILES Flexibase

57926260

Analogs

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Popular Name: 5-chloro-4-[(2R)-2-(2,2-dimethylpropyl)pyrrolidin-1-yl]sulfonyl-1,3-dimethyl-pyrazole 5-chloro-4-[(2R)-2-(2,2-dimethyl…

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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)	3.01	5.46	-9.19	0	5	0	55	333.885	4	↓ MOL2 SDF SMILES Flexibase

57926264

Analogs

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Popular Name: 5-chloro-4-[(2S)-2-(2,2-dimethylpropyl)pyrrolidin-1-yl]sulfonyl-1,3-dimethyl-pyrazole 5-chloro-4-[(2S)-2-(2,2-dimethyl…

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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)	3.01	5.21	-9.36	0	5	0	55	333.885	4	↓ MOL2 SDF SMILES Flexibase

57926377

Analogs

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Popular Name: 4-[(2S)-2-(2,2-dimethylpropyl)pyrrolidin-1-yl]sulfonyl-1-methyl-pyrazole 4-[(2S)-2-(2,2-dimethylpropyl)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)	1.99	4.06	-11.23	0	5	0	55	285.413	4	↓ MOL2 SDF SMILES Flexibase

57926381

Analogs

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Popular Name: 4-[(2R)-2-(2,2-dimethylpropyl)pyrrolidin-1-yl]sulfonyl-1-methyl-pyrazole 4-[(2R)-2-(2,2-dimethylpropyl)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)	1.99	4.34	-11.5	0	5	0	55	285.413	4	↓ MOL2 SDF SMILES Flexibase

57926627

Analogs

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Popular Name: 4-[(2R)-2-(2,2-dimethylpropyl)pyrrolidin-1-yl]sulfonyl-1,3,5-trimethyl-pyrazole 4-[(2R)-2-(2,2-dimethylpropyl)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)	2.43	5.65	-11.02	0	5	0	55	313.467	4	↓ MOL2 SDF SMILES Flexibase

57926634

Analogs

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Popular Name: 4-[(2S)-2-(2,2-dimethylpropyl)pyrrolidin-1-yl]sulfonyl-1,3,5-trimethyl-pyrazole 4-[(2S)-2-(2,2-dimethylpropyl)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)	2.43	5.64	-11.17	0	5	0	55	313.467	4	↓ MOL2 SDF SMILES Flexibase

2803329

Analogs

36614612
36614618
36614655
36614656
36614764

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Popular Name: 1-(difluoromethyl)-3,5-dimethyl-4-pyrrolidinosulfonyl-pyrazole 1-(difluoromethyl)-3,5-dimethyl-…

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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	-2.28	-10.33	0	5	0	55	279.312	3	↓ MOL2 SDF SMILES Flexibase

2803382

Analogs

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Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244

Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245

Popular Name:

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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)	0.41	2.22	-11.47	0	5	0	55	229.305	3	↓ MOL2 SDF SMILES Flexibase

2803494

Analogs

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Popular Name: 1-ethyl-5-methyl-4-pyrrolidinosulfonyl-pyrazole 1-ethyl-5-methyl-4-pyrrolidinosu…

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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)	0.63	-3.85	-12.58	0	5	0	55	243.332	3	↓ MOL2 SDF SMILES Flexibase

62924301

Analogs

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Popular Name: (3S)-3-methyl-1-(1H-pyrazol-4-ylsulfonyl)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)	-0.45	0.97	-50.74	1	7	-1	106	258.279	3	↓ MOL2 SDF SMILES Flexibase

62924302

Analogs

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Popular Name: (3R)-3-methyl-1-(1H-pyrazol-4-ylsulfonyl)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)	-0.45	0.99	-51.28	1	7	-1	106	258.279	3	↓ MOL2 SDF SMILES Flexibase

62924397

Analogs

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Popular Name: (3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-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)	0.00	2.42	-49.65	1	7	-1	106	286.333	3	↓ MOL2 SDF SMILES Flexibase

62924398

Analogs

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Popular Name: (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-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)	0.00	2.45	-49.43	1	7	-1	106	286.333	3	↓ MOL2 SDF SMILES Flexibase

62924712

Analogs

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Popular Name: (3S)-3-methyl-1-(1-methylpyrazol-4-yl)sulfonyl-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)	-0.38	2.28	-48.54	0	7	-1	95	272.306	3	↓ MOL2 SDF SMILES Flexibase

62924713

Analogs

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Popular Name: (3R)-3-methyl-1-(1-methylpyrazol-4-yl)sulfonyl-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)	-0.38	2.3	-49.49	0	7	-1	95	272.306	3	↓ MOL2 SDF SMILES Flexibase

62924734

Analogs

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Popular Name: (3R)-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-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)	0.06	3.64	-48.43	0	7	-1	95	300.36	3	↓ MOL2 SDF SMILES Flexibase

62924735

Analogs

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Popular Name: (3S)-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-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)	0.06	3.67	-48.46	0	7	-1	95	300.36	3	↓ MOL2 SDF SMILES Flexibase

62924946

Analogs

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Popular Name: (3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(5-methyl-1H-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)	-0.23	1.49	-49.23	1	7	-1	106	272.306	3	↓ MOL2 SDF SMILES Flexibase

62924947

Analogs

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Popular Name: (3S)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[(5-methyl-1H-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)	-0.23	1.5	-50.94	1	7	-1	106	272.306	3	↓ MOL2 SDF SMILES Flexibase

62925163

Analogs

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

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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)	-0.11	1.45	-49.76	1	7	-1	106	272.306	4	↓ MOL2 SDF SMILES Flexibase

62925164

Analogs

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

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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)	-0.11	1.54	-53.63	1	7	-1	106	272.306	4	↓ MOL2 SDF SMILES Flexibase

62925239

Analogs

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Popular Name: (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-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)	0.33	2.85	-49.08	1	7	-1	106	300.36	4	↓ MOL2 SDF SMILES Flexibase

62925240

Analogs

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Popular Name: (3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-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)	0.33	2.95	-51.84	1	7	-1	106	300.36	4	↓ MOL2 SDF SMILES Flexibase

62925520

Analogs

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Popular Name: (3S)-3-ethyl-1-(1-methylpyrazol-4-yl)sulfonyl-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)	-0.04	2.76	-47.62	0	7	-1	95	286.333	4	↓ MOL2 SDF SMILES Flexibase

62925521

Analogs

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Popular Name: (3R)-3-ethyl-1-(1-methylpyrazol-4-yl)sulfonyl-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)	-0.04	2.85	-53.71	0	7	-1	95	286.333	4	↓ MOL2 SDF SMILES Flexibase

62925546

Analogs

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Popular Name: (3S)-3-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-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)	0.40	4.11	-47.7	0	7	-1	95	314.387	4	↓ MOL2 SDF SMILES Flexibase

62925547

Analogs

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Popular Name: (3R)-3-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-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)	0.40	4.2	-52.79	0	7	-1	95	314.387	4	↓ MOL2 SDF SMILES Flexibase

62925702

Analogs

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Popular Name: (3S)-3-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(5-methyl-1H-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)	0.11	1.9	-49.05	1	7	-1	106	286.333	4	↓ MOL2 SDF SMILES Flexibase

62925703

Analogs

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Popular Name: (3R)-3-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(5-methyl-1H-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)	0.11	2	-53.63	1	7	-1	106	286.333	4	↓ MOL2 SDF SMILES Flexibase

62925814

Analogs

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Popular Name: (3S)-3-propyl-1-(1H-pyrazol-4-ylsulfonyl)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)	0.45	2.22	-50.1	1	7	-1	106	286.333	5	↓ MOL2 SDF SMILES Flexibase

62925815

Analogs

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Popular Name: (3R)-3-propyl-1-(1H-pyrazol-4-ylsulfonyl)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)	0.45	2.31	-53.97	1	7	-1	106	286.333	5	↓ MOL2 SDF SMILES Flexibase

62925882

Analogs

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Popular Name: (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-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)	0.89	3.62	-49.4	1	7	-1	106	314.387	5	↓ MOL2 SDF SMILES Flexibase

62925883

Analogs

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Popular Name: (3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-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)	0.89	3.71	-52.17	1	7	-1	106	314.387	5	↓ MOL2 SDF SMILES Flexibase

62926071

Analogs

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Popular Name: (3S)-1-(1-methylpyrazol-4-yl)sulfonyl-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(1-methylpyrazol-4-yl)sul…

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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)	0.51	3.53	-47.93	0	7	-1	95	300.36	5	↓ MOL2 SDF SMILES Flexibase

62926072

Analogs

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Popular Name: (3R)-1-(1-methylpyrazol-4-yl)sulfonyl-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(1-methylpyrazol-4-yl)sul…

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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)	0.51	3.62	-54.03	0	7	-1	95	300.36	5	↓ MOL2 SDF SMILES Flexibase

62926201

Analogs

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Popular Name: (3S)-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(5-methyl-1H-pyrazol-4-y…

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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)	0.67	2.67	-49.36	1	7	-1	106	300.36	5	↓ MOL2 SDF SMILES Flexibase

62926202

Analogs

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Popular Name: (3R)-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(5-methyl-1H-pyrazol-4-y…

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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)	0.67	2.76	-53.9	1	7	-1	106	300.36	5	↓ MOL2 SDF SMILES Flexibase

62965405

Analogs

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Popular Name: 4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1-methyl-pyrazol-3-amine 4-[(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)	-0.62	1.44	-47.94	3	7	1	86	274.37	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.62	-0.97	-11.7	2	7	0	84	273.362	3	↓ MOL2 SDF SMILES Flexibase

62965406

Analogs

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Popular Name: 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1-methyl-pyrazol-3-amine 4-[(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)	-0.62	1.45	-47.79	3	7	1	86	274.37	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.62	-0.95	-11.76	2	7	0	84	273.362	3	↓ MOL2 SDF SMILES Flexibase

62965407

Analogs

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Popular Name: 4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1-ethyl-pyrazol-3-amine 4-[(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)	-0.24	2.3	-47.55	3	7	1	86	288.397	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.24	-0.1	-11.41	2	7	0	84	287.389	4	↓ MOL2 SDF SMILES Flexibase

62965408

Analogs

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Popular Name: 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1-ethyl-pyrazol-3-amine 4-[(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)	-0.24	2.31	-47.57	3	7	1	86	288.397	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.24	-0.08	-11.56	2	7	0	84	287.389	4	↓ MOL2 SDF SMILES Flexibase

62965409

Analogs

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Popular Name: 4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1-propyl-pyrazol-3-amine 4-[(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)	0.26	3.06	-47.27	3	7	1	86	302.424	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.26	0.65	-11	2	7	0	84	301.416	5	↓ MOL2 SDF SMILES Flexibase

62965410

Analogs

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Popular Name: 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1-propyl-pyrazol-3-amine 4-[(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)	0.26	3.07	-47.29	3	7	1	86	302.424	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.26	0.68	-11.16	2	7	0	84	301.416	5	↓ MOL2 SDF SMILES Flexibase

62966682

Analogs

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Popular Name: 3-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]sulfonylpyrazol-1-yl]propanoic 3-[4-[(3R)-3-(dimethylamino)pyrr…

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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	3.96	-73.17	1	8	0	100	316.383	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.71	1.56	-46.44	0	8	-1	99	315.375	6	↓ MOL2 SDF SMILES Flexibase

62966683

Analogs

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Popular Name: 3-[4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]sulfonylpyrazol-1-yl]propanoic 3-[4-[(3S)-3-(dimethylamino)pyrr…

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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	3.97	-72.35	1	8	0	100	316.383	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.71	1.57	-46.93	0	8	-1	99	315.375	6	↓ MOL2 SDF SMILES Flexibase

62966690

Analogs

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Popular Name: 2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]sulfonylpyrazol-1-yl]acetic 2-[4-[(3R)-3-(dimethylamino)pyrr…

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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	3.41	-78.37	1	8	0	100	302.356	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.98	1	-51.01	0	8	-1	99	301.348	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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