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ZINC Item

Suppliers, Protomers, & Similar Substances

36108923

Analogs

26081755
26081761

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(benzenesulfonyl)-N-benzyl-pyrrolidine-2-carboxamide (2S)-1-(benzenesulfonyl)-N-benzy…

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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)	2.15	5.88	-18.44	1	5	0	66	344.436	5	↓ MOL2 SDF SMILES Flexibase

36108949

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-benzyl-1-(4-ethoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide (2S)-N-benzyl-1-(4-ethoxyphenyl)…

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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)	2.58	6.51	-18.34	1	6	0	76	388.489	7	↓ MOL2 SDF SMILES Flexibase

22694304

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-(2-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide (2S)-N-[[4-(diethylsulfamoyl)phe…

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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)	2.33	6.42	-25.7	1	8	0	104	497.614	9	↓ MOL2 SDF SMILES Flexibase

22694307

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-(2-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide (2R)-N-[[4-(diethylsulfamoyl)phe…

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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)	2.33	5.4	-20.78	1	8	0	104	497.614	9	↓ MOL2 SDF SMILES Flexibase

22699520

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(2-fluorophenyl)sulfonyl-N-[[4-(isopropylsulfamoylmethyl)phenyl]methyl]pyrrolidine-2-carboxam (2S)-1-(2-fluorophenyl)sulfonyl-…

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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)	2.06	5.15	-31.62	2	8	0	113	497.614	9	↓ MOL2 SDF SMILES Flexibase

22699521

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(2-fluorophenyl)sulfonyl-N-[[4-(isopropylsulfamoylmethyl)phenyl]methyl]pyrrolidine-2-carboxam (2R)-1-(2-fluorophenyl)sulfonyl-…

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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)	2.06	4.13	-24.88	2	8	0	113	497.614	9	↓ MOL2 SDF SMILES Flexibase

22702183

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide (2S)-N-[[2-(difluoromethoxy)phen…

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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)	2.83	5.97	-22.95	1	6	0	76	428.432	7	↓ MOL2 SDF SMILES Flexibase

22702185

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide (2R)-N-[[2-(difluoromethoxy)phen…

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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)	2.83	6.66	-23.4	1	6	0	76	428.432	7	↓ MOL2 SDF SMILES Flexibase

13013799

Analogs

13013801
13013803
13013805

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4-bromophenyl)sulfonyl-N-[(1R)-1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide (2S)-1-(4-bromophenyl)sulfonyl-N…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.14	8.18	-20.3	1	5	0	66	471.804	5	↓ MOL2 SDF SMILES Flexibase

13013801

Analogs

13013803
13013805
13013799

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4-bromophenyl)sulfonyl-N-[(1S)-1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide (2S)-1-(4-bromophenyl)sulfonyl-N…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.14	8.69	-19.15	1	5	0	66	471.804	5	↓ MOL2 SDF SMILES Flexibase

13013803

Analogs

13013805
13013799
13013801

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(4-bromophenyl)sulfonyl-N-[(1R)-1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide (2R)-1-(4-bromophenyl)sulfonyl-N…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.14	8.98	-19.8	1	5	0	66	471.804	5	↓ MOL2 SDF SMILES Flexibase

13013805

Analogs

13013799
13013801
13013803

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(4-bromophenyl)sulfonyl-N-[(1S)-1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide (2R)-1-(4-bromophenyl)sulfonyl-N…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.14	8.84	-20.35	1	5	0	66	471.804	5	↓ MOL2 SDF SMILES Flexibase

36877140

Analogs

36877142
36877144
36877146
25378939
25378946

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4-fluorophenyl)sulfonyl-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide (2S)-1-(4-fluorophenyl)sulfonyl-…

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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)	2.87	6.79	-17.31	1	5	0	66	376.453	5	↓ MOL2 SDF SMILES Flexibase

36877142

Analogs

36877144
36877146
36877140
25378939
25378946

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4-fluorophenyl)sulfonyl-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide (2S)-1-(4-fluorophenyl)sulfonyl-…

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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)	2.87	6.8	-18.06	1	5	0	66	376.453	5	↓ MOL2 SDF SMILES Flexibase

36877144

Analogs

36877146
36877140
36877142
25378939

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(4-fluorophenyl)sulfonyl-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide (2R)-1-(4-fluorophenyl)sulfonyl-…

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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)	2.87	7.96	-18.11	1	5	0	66	376.453	5	↓ MOL2 SDF SMILES Flexibase

36877146

Analogs

23544112
36877140
36877142

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(4-fluorophenyl)sulfonyl-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide (2R)-1-(4-fluorophenyl)sulfonyl-…

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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)	2.87	7.96	-17.67	1	5	0	66	376.453	5	↓ MOL2 SDF SMILES Flexibase

13261513

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]methyl]benzoic 4-[[[(2S)-1-(2-fluorophenyl)sulf…

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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)	2.17	6.33	-63.07	1	7	-1	107	405.427	6	↓ MOL2 SDF SMILES Flexibase

13261541

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[[(2S)-1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic 4-[[[(2S)-1-(p-tolylsulfonyl)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)	2.51	7.07	-61.99	1	7	-1	107	401.464	6	↓ MOL2 SDF SMILES Flexibase

13261542

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]methyl]benzoic 4-[[[(2S)-1-(4-chlorophenyl)sulf…

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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)	2.73	6.92	-60.49	1	7	-1	107	421.882	6	↓ MOL2 SDF SMILES Flexibase

13261546

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]methyl]benzoic 4-[[[(2S)-1-(4-fluorophenyl)sulf…

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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)	2.22	6.47	-60.73	1	7	-1	107	405.427	6	↓ MOL2 SDF SMILES Flexibase

25464456

Analogs

9339461
7781120

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-benzyl-1-(2-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide (2R)-N-benzyl-1-(2-fluorophenyl)…

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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)	2.26	5.68	-14.7	1	5	0	66	362.426	5	↓ MOL2 SDF SMILES Flexibase

25464461

Analogs

9339461
7781120

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-benzyl-1-(2-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide (2S)-N-benzyl-1-(2-fluorophenyl)…

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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)	2.26	6.4	-20.98	1	5	0	66	362.426	5	↓ MOL2 SDF SMILES Flexibase

25466189

Analogs

21708413
21708416

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide (2S)-N-[[4-(difluoromethoxy)phen…

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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)	2.88	5.97	-23.81	1	6	0	76	428.432	7	↓ MOL2 SDF SMILES Flexibase

25466194

Analogs

21708413
21708416

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide (2R)-N-[[4-(difluoromethoxy)phen…

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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)	2.88	5.28	-17.68	1	6	0	76	428.432	7	↓ MOL2 SDF SMILES Flexibase

1378832

Analogs

25072049
25072054

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(4-fluorophenyl)sulfonyl-N-p-anisyl-pyrrolidine-2-carboxamide (2R)-1-(4-fluorophenyl)sulfonyl-…

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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	6.44	-18	1	6	0	76	392.452	6	↓ MOL2 SDF SMILES Flexibase

1378833

Analogs

25072049
25072054

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4-fluorophenyl)sulfonyl-N-p-anisyl-pyrrolidine-2-carboxamide (2S)-1-(4-fluorophenyl)sulfonyl-…

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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	5.25	-17.92	1	6	0	76	392.452	6	↓ MOL2 SDF SMILES Flexibase

1379240

Analogs

7070772
9066542
25464456
25464461
25467631

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(4-fluorophenyl)sulfonyl-N-(4-methylbenzyl)pyrrolidine-2-carboxamide (2R)-1-(4-fluorophenyl)sulfonyl-…

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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)	2.76	7.82	-17.07	1	5	0	66	376.453	5	↓ MOL2 SDF SMILES Flexibase

1379241

Analogs

7070772
9066542
25464456
25464461
25467631

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4-fluorophenyl)sulfonyl-N-(4-methylbenzyl)pyrrolidine-2-carboxamide (2S)-1-(4-fluorophenyl)sulfonyl-…

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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)	2.76	6.63	-16.82	1	5	0	66	376.453	5	↓ MOL2 SDF SMILES Flexibase

1379260

Analogs

23544112
23544116
25404521
25404526
25464456

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-fluorobenzyl)-1-tosyl-pyrrolidine-2-carboxamide (2S)-N-(2-fluorobenzyl)-1-tosyl-…

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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)	2.71	6.97	-19.03	1	5	0	66	376.453	5	↓ MOL2 SDF SMILES Flexibase

1379262

Analogs

23544112
23544116
25404521
25404526
25464456

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-fluorobenzyl)-1-tosyl-pyrrolidine-2-carboxamide (2R)-N-(2-fluorobenzyl)-1-tosyl-…

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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)	2.71	7.62	-20.56	1	5	0	66	376.453	5	↓ MOL2 SDF SMILES Flexibase

1379264

Analogs

25422692

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-p-anisyl-1-tosyl-pyrrolidine-2-carboxamide (2S)-N-p-anisyl-1-tosyl-pyrrolid…

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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)	2.65	6.25	-19.29	1	6	0	76	388.489	6	↓ MOL2 SDF SMILES Flexibase

1379266

Analogs

25422692

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-p-anisyl-1-tosyl-pyrrolidine-2-carboxamide (2R)-N-p-anisyl-1-tosyl-pyrrolid…

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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)	2.65	6.9	-19.51	1	6	0	76	388.489	6	↓ MOL2 SDF SMILES Flexibase

1379294

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(4-chlorophenyl)sulfonyl-N-(4-methylbenzyl)pyrrolidine-2-carboxamide (2R)-1-(4-chlorophenyl)sulfonyl-…

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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)	3.27	8.27	-16.84	1	5	0	66	392.908	5	↓ MOL2 SDF SMILES Flexibase

1379295

Analogs

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Popular Name: (2S)-1-(4-chlorophenyl)sulfonyl-N-(4-methylbenzyl)pyrrolidine-2-carboxamide (2S)-1-(4-chlorophenyl)sulfonyl-…

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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)	3.27	7.08	-16.6	1	5	0	66	392.908	5	↓ MOL2 SDF SMILES Flexibase

1379321

Analogs

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Popular Name: (2S)-1-[4-(dimethylsulfamoyl)phenyl]sulfonyl-N-p-anisyl-pyrrolidine-2-carboxamide (2S)-1-[4-(dimethylsulfamoyl)phe…

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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)	1.52	3.52	-24.78	1	9	0	113	481.596	8	↓ MOL2 SDF SMILES Flexibase

1379323

Analogs

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Popular Name: (2R)-1-[4-(dimethylsulfamoyl)phenyl]sulfonyl-N-p-anisyl-pyrrolidine-2-carboxamide (2R)-1-[4-(dimethylsulfamoyl)phe…

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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)	1.52	4.17	-24.89	1	9	0	113	481.596	8	↓ MOL2 SDF SMILES Flexibase

1379503

Analogs

39866914
39866915
39866918
39866919

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Popular Name: (2S)-N-benzyl-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide (2S)-N-benzyl-1-(4-methoxyphenyl…

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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)	2.20	-5.06	-18.65	1	6	0	75	374.462	6	↓ MOL2 SDF SMILES Flexibase

1379505

Analogs

39866914
39866915
39866918
39866919

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Popular Name: (2R)-N-benzyl-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide (2R)-N-benzyl-1-(4-methoxyphenyl…

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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)	2.20	-5.31	-18.64	1	6	0	75	374.462	6	↓ MOL2 SDF SMILES Flexibase

1379523

Analogs

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Popular Name: (2R)-1-(4-chlorophenyl)sulfonyl-N-(4-fluorobenzyl)pyrrolidine-2-carboxamide (2R)-1-(4-chlorophenyl)sulfonyl-…

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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)	2.99	-3.9	-17.1	1	5	0	66	396.871	5	↓ MOL2 SDF SMILES Flexibase

1379524

Analogs

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Popular Name: (2S)-1-(4-chlorophenyl)sulfonyl-N-(4-fluorobenzyl)pyrrolidine-2-carboxamide (2S)-1-(4-chlorophenyl)sulfonyl-…

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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)	2.99	-4.26	-16.77	1	5	0	66	396.871	5	↓ MOL2 SDF SMILES Flexibase

1379527

Analogs

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Popular Name: (2R)-1-(4-chlorophenyl)sulfonyl-N-p-anisyl-pyrrolidine-2-carboxamide (2R)-1-(4-chlorophenyl)sulfonyl-…

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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)	2.88	6.89	-17.85	1	6	0	76	408.907	6	↓ MOL2 SDF SMILES Flexibase

1379528

Analogs

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Popular Name: (2S)-1-(4-chlorophenyl)sulfonyl-N-p-anisyl-pyrrolidine-2-carboxamide (2S)-1-(4-chlorophenyl)sulfonyl-…

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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)	2.88	5.7	-17.78	1	6	0	76	408.907	6	↓ MOL2 SDF SMILES Flexibase

68960989

Analogs

30678911

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Popular Name: (2R)-N-[(2,4-dichlorophenyl)methyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide (2R)-N-[(2,4-dichlorophenyl)meth…

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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)	3.88	8.53	-18.45	1	5	0	66	427.353	5	↓ MOL2 SDF SMILES Flexibase

69118881

Analogs

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Popular Name: (2R)-N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide (2R)-N-[(1S)-1-(2-chlorophenyl)e…

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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)	3.78	8.9	-22.24	1	5	0	66	406.935	5	↓ MOL2 SDF SMILES Flexibase

69118886

Analogs

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Popular Name: (2S)-N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide (2S)-N-[(1S)-1-(2-chlorophenyl)e…

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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)	3.78	8.42	-21.26	1	5	0	66	406.935	5	↓ MOL2 SDF SMILES Flexibase

69119891

Analogs

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Popular Name: (2R)-N-[(1S)-1-(3-chlorophenyl)ethyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide (2R)-N-[(1S)-1-(3-chlorophenyl)e…

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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)	3.81	8.96	-20.89	1	5	0	66	406.935	5	↓ MOL2 SDF SMILES Flexibase

69161860

Analogs

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Popular Name: (2R)-N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide (2R)-N-[(1S)-1-(4-chlorophenyl)e…

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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)	3.83	8.97	-19.38	1	5	0	66	406.935	5	↓ MOL2 SDF SMILES Flexibase

69209617

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(p-tolylmethyl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide (2R)-N-(p-tolylmethyl)-1-(p-toly…

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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)	3.04	8.43	-18.41	1	5	0	66	372.49	5	↓ MOL2 SDF SMILES Flexibase

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Structural Results Found: (before additional filtering)

SQL Query Was

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