ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

36159863

Analogs

36159869
42165900
42165901

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-cyclohexyl-N-(3-isopropylphenyl)-5-oxo-pyrrolidine-3-carboxamide (3R)-1-cyclohexyl-N-(3-isopropyl…

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	5550	0.31	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA_MYCTU	P0A5Y6	Enoyl-[acyl-carrier-protein] Reductase, Myctu	5550	0.31	Binding ≤ 10μM

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)	4.36	9.42	-11.37	1	4	0	49	328.456	4	↓ MOL2 SDF SMILES Flexibase

36159869

Analogs

42165900
42165901
36159863

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-cyclohexyl-N-(3-isopropylphenyl)-5-oxo-pyrrolidine-3-carboxamide (3S)-1-cyclohexyl-N-(3-isopropyl…

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	5550	0.31	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA_MYCTU	P0A5Y6	Enoyl-[acyl-carrier-protein] Reductase, Myctu	5550	0.31	Binding ≤ 10μM

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)	4.36	9.48	-14.84	1	4	0	49	328.456	4	↓ MOL2 SDF SMILES Flexibase

14226210

Analogs

14226213
14226216
14226219
36391754
37200188

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(3-acetamidophenyl)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-oxo-pyrrolidine-3-carboxamide (3S)-N-(3-acetamidophenyl)-1-[(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)	2.55	7.72	-16.13	2	6	0	79	371.481	4	↓ MOL2 SDF SMILES Flexibase

14226213

Analogs

14226216
14226219
36391754
37200188
37200190

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(3-acetamidophenyl)-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-5-oxo-pyrrolidine-3-carboxamide (3S)-N-(3-acetamidophenyl)-1-[(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)	2.55	7.96	-15.93	2	6	0	79	371.481	4	↓ MOL2 SDF SMILES Flexibase

14226216

Analogs

14226219
36391754
37200188
37200190
37200192

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(3-acetamidophenyl)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-oxo-pyrrolidine-3-carboxamide (3S)-N-(3-acetamidophenyl)-1-[(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)	2.55	7.56	-20.37	2	6	0	79	371.481	4	↓ MOL2 SDF SMILES Flexibase

14226219

Analogs

36391754
37200188
37200190
37200192
14226210

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(3-acetamidophenyl)-1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-5-oxo-pyrrolidine-3-carboxamide (3S)-N-(3-acetamidophenyl)-1-[(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)	2.55	7.36	-14.51	2	6	0	79	371.481	4	↓ MOL2 SDF SMILES Flexibase

14246664

Analogs

14246665
14246666
14246667
37203388
37203390

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N-[4-(methylcarbamoyl)phenyl]-5-oxo-pyrrolidine-3-carboxa (3S)-1-[(1R,2S,3R)-2,3-dimethylc…

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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)	2.55	6.61	-19.13	2	6	0	79	371.481	4	↓ MOL2 SDF SMILES Flexibase

14246665

Analogs

14246666
14246667
37203388
37203390
37203392

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N-[4-(methylcarbamoyl)phenyl]-5-oxo-pyrrolidine-3-carboxa (3R)-1-[(1R,2S,3R)-2,3-dimethylc…

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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)	2.55	6.76	-14.54	2	6	0	79	371.481	4	↓ MOL2 SDF SMILES Flexibase

14246666

Analogs

14246667
37203388
37203390
37203392
37203394

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-N-[4-(methylcarbamoyl)phenyl]-5-oxo-pyrrolidine-3-carboxa (3S)-1-[(1S,2S,3R)-2,3-dimethylc…

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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)	2.55	7.37	-19.18	2	6	0	79	371.481	4	↓ MOL2 SDF SMILES Flexibase

14246667

Analogs

37203388
37203390
37203392
37203394
14246664

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-N-[4-(methylcarbamoyl)phenyl]-5-oxo-pyrrolidine-3-carboxa (3R)-1-[(1S,2S,3R)-2,3-dimethylc…

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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)	2.55	7.33	-19.35	2	6	0	79	371.481	4	↓ MOL2 SDF SMILES Flexibase

14249819

Analogs

14249821
14249823
14249825
36389650
37205269

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N-(4-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide (3S)-1-[(1R,2S,3R)-2,3-dimethylc…

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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)	3.41	7.58	-11.72	1	5	0	59	344.455	4	↓ MOL2 SDF SMILES Flexibase

14249821

Analogs

14249823
14249825
36389650
37205269
37205271

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N-(4-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide (3R)-1-[(1R,2S,3R)-2,3-dimethylc…

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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)	3.41	7.76	-11.02	1	5	0	59	344.455	4	↓ MOL2 SDF SMILES Flexibase

14249823

Analogs

14249825
36389650
37205269
37205271
37205273

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-N-(4-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide (3S)-1-[(1S,2S,3R)-2,3-dimethylc…

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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)	3.41	8.37	-14.67	1	5	0	59	344.455	4	↓ MOL2 SDF SMILES Flexibase

14249825

Analogs

36389650
37205269
37205271
37205273
14249819

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-N-(4-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide (3R)-1-[(1S,2S,3R)-2,3-dimethylc…

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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)	3.41	8.34	-16.12	1	5	0	59	344.455	4	↓ MOL2 SDF SMILES Flexibase

14251591

Analogs

14251594
14251596
14251598
37205285
37205287

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N-[5-(dimethylsulfamoyl)-2-methoxy-phenyl]-5-oxo-pyrrolid (3S)-1-[(1R,2S,3R)-2,3-dimethylc…

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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)	2.66	5.73	-18.24	1	8	0	96	451.589	6	↓ MOL2 SDF SMILES Flexibase

14251594

Analogs

14251596
14251598
37205285
37205287
37205289

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N-[5-(dimethylsulfamoyl)-2-methoxy-phenyl]-5-oxo-pyrrolid (3R)-1-[(1R,2S,3R)-2,3-dimethylc…

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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)	2.66	5.74	-21.32	1	8	0	96	451.589	6	↓ MOL2 SDF SMILES Flexibase

14251596

Analogs

14251598
37205285
37205287
37205289
37205290

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-N-[5-(dimethylsulfamoyl)-2-methoxy-phenyl]-5-oxo-pyrrolid (3S)-1-[(1S,2S,3R)-2,3-dimethylc…

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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)	2.66	6.44	-18.94	1	8	0	96	451.589	6	↓ MOL2 SDF SMILES Flexibase

14251598

Analogs

37205285
37205287
37205289
37205290
4213610

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-N-[5-(dimethylsulfamoyl)-2-methoxy-phenyl]-5-oxo-pyrrolid (3R)-1-[(1S,2S,3R)-2,3-dimethylc…

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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)	2.66	6.55	-21.74	1	8	0	96	451.589	6	↓ MOL2 SDF SMILES Flexibase

66927242

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2-hydroxy-4-methyl-phenyl)-1-(4-methylcyclohexyl)-5-oxo-pyrrolidine-3-carboxamide (3R)-N-(2-hydroxy-4-methyl-pheny…

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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)	2.80	6.07	-11.51	2	5	0	70	330.428	3	↓ MOL2 SDF SMILES Flexibase

66927243

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(2-hydroxy-4-methyl-phenyl)-1-(4-methylcyclohexyl)-5-oxo-pyrrolidine-3-carboxamide (3S)-N-(2-hydroxy-4-methyl-pheny…

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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)	2.80	6.12	-15.1	2	5	0	70	330.428	3	↓ MOL2 SDF SMILES Flexibase

40767196

Analogs

40767198

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-cyclohexyl-N-(3-hydroxyphenyl)-5-oxo-pyrrolidine-3-carboxamide (3R)-1-cyclohexyl-N-(3-hydroxyph…

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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	4.66	-12.74	2	5	0	70	302.374	3	↓ MOL2 SDF SMILES Flexibase

40767198

Analogs

40767196

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-cyclohexyl-N-(3-hydroxyphenyl)-5-oxo-pyrrolidine-3-carboxamide (3S)-1-cyclohexyl-N-(3-hydroxyph…

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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	4.71	-16.02	2	5	0	70	302.374	3	↓ MOL2 SDF SMILES Flexibase

37198787

Analogs

33713474
33713475

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2,5-dimethoxyphenyl)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-oxo-pyrrolidine-3-carboxamide (3R)-N-(2,5-dimethoxyphenyl)-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)	3.40	7.21	-13.65	1	6	0	68	374.481	5	↓ MOL2 SDF SMILES Flexibase

37198789

Analogs

33713474
33713475

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2,5-dimethoxyphenyl)-1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-5-oxo-pyrrolidine-3-carboxamide (3R)-N-(2,5-dimethoxyphenyl)-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)	3.40	7.03	-12.33	1	6	0	68	374.481	5	↓ MOL2 SDF SMILES Flexibase

37198791

Analogs

33713474
33713475

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2,5-dimethoxyphenyl)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-oxo-pyrrolidine-3-carboxamide (3R)-N-(2,5-dimethoxyphenyl)-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)	3.40	7.5	-13.56	1	6	0	68	374.481	5	↓ MOL2 SDF SMILES Flexibase

37198793

Analogs

33713474
33713475

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2,5-dimethoxyphenyl)-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-5-oxo-pyrrolidine-3-carboxamide (3R)-N-(2,5-dimethoxyphenyl)-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)	3.40	7.74	-13.49	1	6	0	68	374.481	5	↓ MOL2 SDF SMILES Flexibase

37200188

Analogs

14226210
14226213
14226216
14226219

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(3-acetamidophenyl)-1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-5-oxo-pyrrolidine-3-carboxamide (3R)-N-(3-acetamidophenyl)-1-[(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)	2.55	7.22	-16.88	2	6	0	79	371.481	4	↓ MOL2 SDF SMILES Flexibase

37200190

Analogs

14226210
14226213
14226216
14226219

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(3-acetamidophenyl)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-oxo-pyrrolidine-3-carboxamide (3R)-N-(3-acetamidophenyl)-1-[(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)	2.55	7.72	-17.71	2	6	0	79	371.481	4	↓ MOL2 SDF SMILES Flexibase

37200192

Analogs

14226210
14226213
14226216
14226219

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(3-acetamidophenyl)-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-5-oxo-pyrrolidine-3-carboxamide (3R)-N-(3-acetamidophenyl)-1-[(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)	2.55	7.95	-17.71	2	6	0	79	371.481	4	↓ MOL2 SDF SMILES Flexibase

37203388

Analogs

14246664
14246665
14246666
14246667

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-N-[4-(methylcarbamoyl)phenyl]-5-oxo-pyrrolidine-3-carboxa (3R)-1-[(1S,2R,3R)-2,3-dimethylc…

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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)	2.55	6.89	-19.89	2	6	0	79	371.481	4	↓ MOL2 SDF SMILES Flexibase

37203390

Analogs

14246664
14246665
14246666
14246667

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-N-[4-(methylcarbamoyl)phenyl]-5-oxo-pyrrolidine-3-carboxa (3R)-1-[(1S,2R,3S)-2,3-dimethylc…

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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)	2.55	6.61	-18.62	2	6	0	79	371.481	4	↓ MOL2 SDF SMILES Flexibase

37203392

Analogs

14246664
14246665
14246666
14246667

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-[4-(methylcarbamoyl)phenyl]-5-oxo-pyrrolidine-3-carboxa (3R)-1-[(1R,2R,3R)-2,3-dimethylc…

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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)	2.55	7.09	-19.84	2	6	0	79	371.481	4	↓ MOL2 SDF SMILES Flexibase

37203394

Analogs

14246664
14246665
14246666
14246667

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-N-[4-(methylcarbamoyl)phenyl]-5-oxo-pyrrolidine-3-carboxa (3R)-1-[(1R,2R,3S)-2,3-dimethylc…

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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)	2.55	7.32	-19.78	2	6	0	79	371.481	4	↓ MOL2 SDF SMILES Flexibase

37205269

Analogs

14249819
14249821
14249823
14249825

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-N-(4-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide (3R)-1-[(1S,2R,3S)-2,3-dimethylc…

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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)	3.41	7.62	-11.72	1	5	0	59	344.455	4	↓ MOL2 SDF SMILES Flexibase

37205271

Analogs

14249819
14249821
14249823
14249825

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-(4-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide (3R)-1-[(1R,2R,3R)-2,3-dimethylc…

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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)	3.41	8.11	-12.76	1	5	0	59	344.455	4	↓ MOL2 SDF SMILES Flexibase

37205273

Analogs

14249819
14249821
14249823
14249825

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-N-(4-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide (3R)-1-[(1R,2R,3S)-2,3-dimethylc…

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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)	3.41	8.34	-12.74	1	5	0	59	344.455	4	↓ MOL2 SDF SMILES Flexibase

37205285

Analogs

14251591
14251594
14251596
14251598
8061503

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-N-[5-(dimethylsulfamoyl)-2-methoxy-phenyl]-5-oxo-pyrrolid (3R)-1-[(1S,2R,3R)-2,3-dimethylc…

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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)	2.66	5.91	-19.41	1	8	0	96	451.589	6	↓ MOL2 SDF SMILES Flexibase

37205287

Analogs

14251591
14251594
14251596
14251598
8061503

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-N-[5-(dimethylsulfamoyl)-2-methoxy-phenyl]-5-oxo-pyrrolid (3R)-1-[(1S,2R,3S)-2,3-dimethylc…

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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)	2.66	5.74	-18.15	1	8	0	96	451.589	6	↓ MOL2 SDF SMILES Flexibase

37205289

Analogs

14251591
14251594
14251596
14251598
8061503

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-[5-(dimethylsulfamoyl)-2-methoxy-phenyl]-5-oxo-pyrrolid (3R)-1-[(1R,2R,3R)-2,3-dimethylc…

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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)	2.66	6.21	-19.41	1	8	0	96	451.589	6	↓ MOL2 SDF SMILES Flexibase

37205290

Analogs

4213610

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-N-[5-(dimethylsulfamoyl)-2-methoxy-phenyl]-5-oxo-pyrrolid (3R)-1-[(1R,2R,3S)-2,3-dimethylc…

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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)	2.66	6.46	-19.39	1	8	0	96	451.589	6	↓ MOL2 SDF SMILES Flexibase

37205300

Analogs

6320872
6320873

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(4-acetamido-3-chloro-phenyl)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-oxo-pyrrolidine-3-carbo (3R)-N-(4-acetamido-3-chloro-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)	3.18	8.03	-16.53	2	6	0	79	405.926	4	↓ MOL2 SDF SMILES Flexibase

37205302

Analogs

6320872
6320873

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(4-acetamido-3-chloro-phenyl)-1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-5-oxo-pyrrolidine-3-carbo (3R)-N-(4-acetamido-3-chloro-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)	3.18	7.83	-15.07	2	6	0	79	405.926	4	↓ MOL2 SDF SMILES Flexibase

37205304

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(4-acetamido-3-chloro-phenyl)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-oxo-pyrrolidine-3-carbo (3R)-N-(4-acetamido-3-chloro-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)	3.18	8.34	-16.21	2	6	0	79	405.926	4	↓ MOL2 SDF SMILES Flexibase

37205305

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(4-acetamido-3-chloro-phenyl)-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-5-oxo-pyrrolidine-3-carbo (3R)-N-(4-acetamido-3-chloro-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)	3.18	8.58	-16.17	2	6	0	79	405.926	4	↓ MOL2 SDF SMILES Flexibase

37207239

Analogs

12868712
12868714
12868720
12868731

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (3R)-1-[(1S,2R,3R)-2,3-dimethylc…

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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	7.74	-16.82	1	7	0	77	404.507	6	↓ MOL2 SDF SMILES Flexibase

37207241

Analogs

12868712
12868714
12868720
12868731

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (3R)-1-[(1S,2R,3S)-2,3-dimethylc…

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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	7.47	-15.57	1	7	0	77	404.507	6	↓ MOL2 SDF SMILES Flexibase

37207242

Analogs

12868712
12868714
12868720
12868731

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (3R)-1-[(1R,2R,3R)-2,3-dimethylc…

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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	7.96	-16.59	1	7	0	77	404.507	6	↓ MOL2 SDF SMILES Flexibase

37207244

Analogs

12868712
12868714
12868720
12868731

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (3R)-1-[(1R,2R,3S)-2,3-dimethylc…

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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	8.18	-16.6	1	7	0	77	404.507	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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