ZINC 12

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ZINC Item

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1380111

Analogs

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Popular Name: N-(4-chlorophenyl)-N-[(1S)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-keto-ethyl]-2-furamide N-(4-chlorophenyl)-N-[(1S)-2-(cy…

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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)	5.21	10.96	-11.41	1	5	0	63	440.902	6	↓ MOL2 SDF SMILES Flexibase

1380112

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-N-[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-keto-ethyl]-2-furamide N-(4-chlorophenyl)-N-[(1R)-2-(cy…

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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)	5.21	11.02	-11.39	1	5	0	63	440.902	6	↓ MOL2 SDF SMILES Flexibase

1380113

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-N-[(1S)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-keto-ethyl]-2-furamide N-(2-chlorophenyl)-N-[(1S)-2-(cy…

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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)	5.16	11.75	-11.31	1	5	0	63	440.902	6	↓ MOL2 SDF SMILES Flexibase

1380114

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-N-[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-keto-ethyl]-2-furamide N-(2-chlorophenyl)-N-[(1R)-2-(cy…

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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)	5.16	13.38	-15.48	1	5	0	63	440.902	6	↓ MOL2 SDF SMILES Flexibase

1380115

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-keto-ethyl]-N-(3-fluoro-4-methyl-phenyl)-2-furamid N-[(1S)-2-(cyclopentylamino)-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)	5.07	11.14	-13.08	1	5	0	63	438.474	6	↓ MOL2 SDF SMILES Flexibase

1380116

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-keto-ethyl]-N-(3-fluoro-4-methyl-phenyl)-2-furamid N-[(1R)-2-(cyclopentylamino)-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)	5.07	13.29	-13.55	1	5	0	63	438.474	6	↓ MOL2 SDF SMILES Flexibase

1380117

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-keto-ethyl]-N-(3-fluorophenyl)-2-furamide N-[(1S)-2-(cyclopentylamino)-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)	4.67	11.31	-10.48	1	5	0	63	424.447	6	↓ MOL2 SDF SMILES Flexibase

1380118

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-keto-ethyl]-N-(3-fluorophenyl)-2-furamide N-[(1R)-2-(cyclopentylamino)-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)	4.67	12.53	-14.71	1	5	0	63	424.447	6	↓ MOL2 SDF SMILES Flexibase

1380119

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-keto-ethyl]-N-(2-fluorophenyl)-2-furamide N-[(1S)-2-(cyclopentylamino)-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)	4.65	11.2	-12.67	1	5	0	63	424.447	6	↓ MOL2 SDF SMILES Flexibase

1380120

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-keto-ethyl]-N-(2-fluorophenyl)-2-furamide N-[(1R)-2-(cyclopentylamino)-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)	4.65	12.73	-18.46	1	5	0	63	424.447	6	↓ MOL2 SDF SMILES Flexibase

1380125

Analogs

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Popular Name: N-[(1S)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-keto-ethyl]-N-(p-tolyl)-2-furamide N-[(1S)-2-(cyclopentylamino)-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)	4.98	1.67	-13.25	1	5	0	62	420.484	6	↓ MOL2 SDF SMILES Flexibase

1380126

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-keto-ethyl]-N-(p-tolyl)-2-furamide N-[(1R)-2-(cyclopentylamino)-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)	4.98	1.72	-13.23	1	5	0	62	420.484	6	↓ MOL2 SDF SMILES Flexibase

1380127

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-keto-ethyl]-N-(m-tolyl)-2-furamide N-[(1S)-2-(cyclopentylamino)-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)	4.96	2.5	-12.47	1	5	0	62	420.484	6	↓ MOL2 SDF SMILES Flexibase

1380128

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-keto-ethyl]-N-(m-tolyl)-2-furamide N-[(1R)-2-(cyclopentylamino)-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)	4.96	2.73	-14.24	1	5	0	62	420.484	6	↓ MOL2 SDF SMILES Flexibase

1380129

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-keto-ethyl]-N-(2,6-dimethylphenyl)-2-furamide N-[(1S)-2-(cyclopentylamino)-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)	5.34	14.04	-13.47	1	5	0	63	434.511	6	↓ MOL2 SDF SMILES Flexibase

1380130

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-keto-ethyl]-N-(2,6-dimethylphenyl)-2-furamide N-[(1R)-2-(cyclopentylamino)-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)	5.34	14.05	-13.24	1	5	0	63	434.511	6	↓ MOL2 SDF SMILES Flexibase

1380131

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-keto-ethyl]-N-(2,5-dimethylphenyl)-2-furamide N-[(1S)-2-(cyclopentylamino)-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)	5.36	12.8	-10.84	1	5	0	63	434.511	6	↓ MOL2 SDF SMILES Flexibase

1380132

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-keto-ethyl]-N-(2,5-dimethylphenyl)-2-furamide N-[(1R)-2-(cyclopentylamino)-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)	5.36	13.91	-14.37	1	5	0	63	434.511	6	↓ MOL2 SDF SMILES Flexibase

1380133

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-keto-ethyl]-N-(2,4-dimethylphenyl)-2-furamide N-[(1S)-2-(cyclopentylamino)-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)	5.36	13.89	-13.61	1	5	0	63	434.511	6	↓ MOL2 SDF SMILES Flexibase

1380134

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-keto-ethyl]-N-(2,4-dimethylphenyl)-2-furamide N-[(1R)-2-(cyclopentylamino)-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)	5.36	13.57	-12.88	1	5	0	63	434.511	6	↓ MOL2 SDF SMILES Flexibase

1380135

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-keto-ethyl]-N-(2,3-dimethylphenyl)-2-furamide N-[(1S)-2-(cyclopentylamino)-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)	5.34	12.82	-12.06	1	5	0	63	434.511	6	↓ MOL2 SDF SMILES Flexibase

1380136

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-keto-ethyl]-N-(2,3-dimethylphenyl)-2-furamide N-[(1R)-2-(cyclopentylamino)-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)	5.34	14.01	-13.32	1	5	0	63	434.511	6	↓ MOL2 SDF SMILES Flexibase

1380137

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-keto-ethyl]-N-(o-tolyl)-2-furamide N-[(1S)-2-(cyclopentylamino)-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)	4.93	3.01	-12.75	1	5	0	62	420.484	6	↓ MOL2 SDF SMILES Flexibase

1380138

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-keto-ethyl]-N-(o-tolyl)-2-furamide N-[(1R)-2-(cyclopentylamino)-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)	4.93	3.27	-13.29	1	5	0	62	420.484	6	↓ MOL2 SDF SMILES Flexibase

1380139

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-keto-ethyl]-N-phenyl-2-furamide N-[(1S)-2-(cyclopentylamino)-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)	4.53	2.09	-10.38	1	5	0	62	406.457	6	↓ MOL2 SDF SMILES Flexibase

1380140

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-keto-ethyl]-N-phenyl-2-furamide N-[(1R)-2-(cyclopentylamino)-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)	4.53	2.01	-14.01	1	5	0	62	406.457	6	↓ MOL2 SDF SMILES Flexibase

1380178

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-fluoro-phenyl)-N-[(1S)-2-(cyclopentylamino)-2-keto-1-(p-tolyl)ethyl]-2-furamide N-(3-chloro-4-fluoro-phenyl)-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)	5.64	11.67	-14.46	1	5	0	63	454.929	6	↓ MOL2 SDF SMILES Flexibase

1380179

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-fluoro-phenyl)-N-[(1R)-2-(cyclopentylamino)-2-keto-1-(p-tolyl)ethyl]-2-furamide N-(3-chloro-4-fluoro-phenyl)-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)	5.64	11.79	-14.01	1	5	0	63	454.929	6	↓ MOL2 SDF SMILES Flexibase

1380180

Analogs

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Popular Name: N-[(1S)-2-(cyclopentylamino)-2-keto-1-(p-tolyl)ethyl]-N-(4-fluorophenyl)-2-furamide N-[(1S)-2-(cyclopentylamino)-2-k…

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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)	5.03	1.97	-14.87	1	5	0	62	420.484	6	↓ MOL2 SDF SMILES Flexibase

1380181

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(cyclopentylamino)-2-keto-1-(p-tolyl)ethyl]-N-(4-fluorophenyl)-2-furamide N-[(1R)-2-(cyclopentylamino)-2-k…

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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)	5.03	1.73	-14.75	1	5	0	62	420.484	6	↓ MOL2 SDF SMILES Flexibase

1380182

Analogs

34679756

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(cyclopentylamino)-2-keto-1-(p-tolyl)ethyl]-N-(3-fluoro-4-methyl-phenyl)-2-furamide N-[(1S)-2-(cyclopentylamino)-2-k…

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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)	5.41	11.81	-16.1	1	5	0	63	434.511	6	↓ MOL2 SDF SMILES Flexibase

1380183

Analogs

34679756

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(cyclopentylamino)-2-keto-1-(p-tolyl)ethyl]-N-(3-fluoro-4-methyl-phenyl)-2-furamide N-[(1R)-2-(cyclopentylamino)-2-k…

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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)	5.41	12.11	-15.44	1	5	0	63	434.511	6	↓ MOL2 SDF SMILES Flexibase

1380184

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(cyclopentylamino)-2-keto-1-(p-tolyl)ethyl]-N-(3-fluorophenyl)-2-furamide N-[(1S)-2-(cyclopentylamino)-2-k…

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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)	5.01	1.85	-15.67	1	5	0	62	420.484	6	↓ MOL2 SDF SMILES Flexibase

1380185

Analogs

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Popular Name: N-[(1R)-2-(cyclopentylamino)-2-keto-1-(p-tolyl)ethyl]-N-(3-fluorophenyl)-2-furamide N-[(1R)-2-(cyclopentylamino)-2-k…

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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)	5.01	2.15	-16.44	1	5	0	62	420.484	6	↓ MOL2 SDF SMILES Flexibase

1380186

Analogs

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Popular Name: N-[(1S)-2-(cyclopentylamino)-2-keto-1-(p-tolyl)ethyl]-N-(2-fluorophenyl)-2-furamide N-[(1S)-2-(cyclopentylamino)-2-k…

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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)	4.98	2.48	-16.39	1	5	0	62	420.484	6	↓ MOL2 SDF SMILES Flexibase

1380187

Analogs

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Popular Name: N-[(1R)-2-(cyclopentylamino)-2-keto-1-(p-tolyl)ethyl]-N-(2-fluorophenyl)-2-furamide N-[(1R)-2-(cyclopentylamino)-2-k…

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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)	4.98	2.06	-18.18	1	5	0	62	420.484	6	↓ MOL2 SDF SMILES Flexibase

1380192

Analogs

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Popular Name: N-[(1S)-2-(cyclopentylamino)-2-keto-1-(p-tolyl)ethyl]-N-(o-tolyl)-2-furamide N-[(1S)-2-(cyclopentylamino)-2-k…

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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)	5.27	1.97	-11.04	1	5	0	62	416.521	6	↓ MOL2 SDF SMILES Flexibase

1380193

Analogs

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Popular Name: N-[(1R)-2-(cyclopentylamino)-2-keto-1-(p-tolyl)ethyl]-N-(o-tolyl)-2-furamide N-[(1R)-2-(cyclopentylamino)-2-k…

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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)	5.27	2.08	-16.2	1	5	0	62	416.521	6	↓ MOL2 SDF SMILES Flexibase

1380202

Analogs

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Popular Name: N-(2-chlorophenyl)-N-[(1S)-2-(cyclopentylamino)-2-keto-1-phenyl-ethyl]-2-furamide N-(2-chlorophenyl)-N-[(1S)-2-(cy…

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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)	5.05	0.96	-10.95	1	5	0	62	422.912	6	↓ MOL2 SDF SMILES Flexibase

1380203

Analogs

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Popular Name: N-(2-chlorophenyl)-N-[(1R)-2-(cyclopentylamino)-2-keto-1-phenyl-ethyl]-2-furamide N-(2-chlorophenyl)-N-[(1R)-2-(cy…

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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)	5.05	2.19	-15.53	1	5	0	62	422.912	6	↓ MOL2 SDF SMILES Flexibase

1380204

Analogs

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Popular Name: N-(3-chloro-4-fluoro-phenyl)-N-[(1S)-2-(cyclopentylamino)-2-keto-1-phenyl-ethyl]-2-furamide N-(3-chloro-4-fluoro-phenyl)-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)	5.19	11.25	-13.98	1	5	0	63	440.902	6	↓ MOL2 SDF SMILES Flexibase

1380205

Analogs

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Popular Name: N-(3-chloro-4-fluoro-phenyl)-N-[(1R)-2-(cyclopentylamino)-2-keto-1-phenyl-ethyl]-2-furamide N-(3-chloro-4-fluoro-phenyl)-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)	5.19	11.3	-13.96	1	5	0	63	440.902	6	↓ MOL2 SDF SMILES Flexibase

1380206

Analogs

34679923

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Popular Name: N-[(1S)-2-(cyclopentylamino)-2-keto-1-phenyl-ethyl]-N-(4-fluorophenyl)-2-furamide N-[(1S)-2-(cyclopentylamino)-2-k…

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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)	4.58	1.82	-14.7	1	5	0	62	406.457	6	↓ MOL2 SDF SMILES Flexibase

1380207

Analogs

34679923

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(cyclopentylamino)-2-keto-1-phenyl-ethyl]-N-(4-fluorophenyl)-2-furamide N-[(1R)-2-(cyclopentylamino)-2-k…

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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)	4.58	1.63	-14.92	1	5	0	62	406.457	6	↓ MOL2 SDF SMILES Flexibase

1380208

Analogs

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Popular Name: N-[(1S)-2-(cyclopentylamino)-2-keto-1-phenyl-ethyl]-N-(3-fluoro-4-methyl-phenyl)-2-furamide N-[(1S)-2-(cyclopentylamino)-2-k…

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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)	4.96	1.91	-18.56	1	5	0	62	420.484	6	↓ MOL2 SDF SMILES Flexibase

1380209

Analogs

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Popular Name: N-[(1R)-2-(cyclopentylamino)-2-keto-1-phenyl-ethyl]-N-(3-fluoro-4-methyl-phenyl)-2-furamide N-[(1R)-2-(cyclopentylamino)-2-k…

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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)	4.96	2.13	-15.49	1	5	0	62	420.484	6	↓ MOL2 SDF SMILES Flexibase

1380210

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(cyclopentylamino)-2-keto-1-phenyl-ethyl]-N-(3-fluorophenyl)-2-furamide N-[(1S)-2-(cyclopentylamino)-2-k…

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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)	4.56	1.64	-14.25	1	5	0	62	406.457	6	↓ MOL2 SDF SMILES Flexibase

1380211

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(cyclopentylamino)-2-keto-1-phenyl-ethyl]-N-(3-fluorophenyl)-2-furamide N-[(1R)-2-(cyclopentylamino)-2-k…

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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)	4.56	1.29	-15.26	1	5	0	62	406.457	6	↓ MOL2 SDF SMILES Flexibase

1380212

Analogs

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Popular Name: N-[(1S)-2-(cyclopentylamino)-2-keto-1-phenyl-ethyl]-N-(2,3-dimethylphenyl)-2-furamide N-[(1S)-2-(cyclopentylamino)-2-k…

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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)	5.22	2.29	-15.35	1	5	0	62	416.521	6	↓ MOL2 SDF SMILES Flexibase

1380213

Analogs

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Popular Name: N-[(1R)-2-(cyclopentylamino)-2-keto-1-phenyl-ethyl]-N-(2,3-dimethylphenyl)-2-furamide N-[(1R)-2-(cyclopentylamino)-2-k…

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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)	5.22	2	-11.22	1	5	0	62	416.521	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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