ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

22999193

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(1-cyclopentyl-4-piperidyl)methyl]-N-(4-nitrophenyl)oxamide N'-[(1-cyclopentyl-4-piperidyl)m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.38	8.1	-46.7	3	8	1	108	375.449	6	↓ MOL2 SDF SMILES Flexibase

22999194

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(1-cyclopentyl-4-piperidyl)methyl]-N-(4-methoxyphenyl)oxamide N'-[(1-cyclopentyl-4-piperidyl)m…

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Activity (Go SEA)

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)	2.48	6.74	-42.79	3	6	1	72	360.478	6	↓ MOL2 SDF SMILES Flexibase

22999195

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-N'-[(1-cyclopentyl-4-piperidyl)methyl]oxamide N-(4-chlorophenyl)-N'-[(1-cyclop…

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Activity (Go SEA)

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)	3.10	7.95	-41.72	3	5	1	63	364.897	5	↓ MOL2 SDF SMILES Flexibase

22999197

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-N'-[(1-cyclopentyl-4-piperidyl)methyl]oxamide N-(3-chlorophenyl)-N'-[(1-cyclop…

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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)	3.08	7.96	-42.09	3	5	1	63	364.897	5	↓ MOL2 SDF SMILES Flexibase

22999198

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(1-cyclopentyl-4-piperidyl)methyl]-N-(m-tolyl)oxamide N'-[(1-cyclopentyl-4-piperidyl)m…

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Activity (Go SEA)

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)	2.85	8.11	-41.37	3	5	1	63	344.479	5	↓ MOL2 SDF SMILES Flexibase

22999199

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(1-cyclopentyl-4-piperidyl)methyl]-N-(3,5-dimethylphenyl)oxamide N'-[(1-cyclopentyl-4-piperidyl)m…

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Activity (Go SEA)

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)	3.25	8.76	-41.57	3	5	1	63	358.506	5	↓ MOL2 SDF SMILES Flexibase

22999201

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(1-cyclopentyl-4-piperidyl)methyl]-N-(4-ethoxyphenyl)oxamide N'-[(1-cyclopentyl-4-piperidyl)m…

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Activity (Go SEA)

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)	2.86	7.68	-42.59	3	6	1	72	374.505	7	↓ MOL2 SDF SMILES Flexibase

22999202

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(1-cyclopentyl-4-piperidyl)methyl]-N-(3-methylsulfanylphenyl)oxamide N'-[(1-cyclopentyl-4-piperidyl)m…

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Activity (Go SEA)

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	8.47	-42.98	3	5	1	63	376.546	6	↓ MOL2 SDF SMILES Flexibase

22999203

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-cyanophenyl)-N'-[(1-cyclopentyl-4-piperidyl)methyl]oxamide N-(2-cyanophenyl)-N'-[(1-cyclope…

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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)	2.13	7.87	-43.7	3	6	1	86	355.462	5	↓ MOL2 SDF SMILES Flexibase

22999205

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(1-cyclopentyl-4-piperidyl)methyl]-N-(2,4-dimethoxyphenyl)oxamide N'-[(1-cyclopentyl-4-piperidyl)m…

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Activity (Go SEA)

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)	2.47	6.17	-42.57	3	7	1	81	390.504	7	↓ MOL2 SDF SMILES Flexibase

22999206

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(1-cyclopentyl-4-piperidyl)methyl]-N-(2-fluorophenyl)oxamide N'-[(1-cyclopentyl-4-piperidyl)m…

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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)	2.54	7.79	-41.23	3	5	1	63	348.442	5	↓ MOL2 SDF SMILES Flexibase

22999207

Analogs

37029761
37029762

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(1-cyclopentyl-4-piperidyl)methyl]-N-(4-fluoro-3-nitro-phenyl)oxamide N'-[(1-cyclopentyl-4-piperidyl)m…

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Activity (Go SEA)

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)	2.48	8.4	-49.12	3	8	1	108	393.439	6	↓ MOL2 SDF SMILES Flexibase

22999208

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(1-cyclopentyl-4-piperidyl)methyl]-N-(2,5-difluorophenyl)oxamide N'-[(1-cyclopentyl-4-piperidyl)m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.68	7.9	-40.99	3	5	1	63	366.432	5	↓ MOL2 SDF SMILES Flexibase

22999209

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(1-cyclopentyl-4-piperidyl)methyl]-N-(3-fluorophenyl)oxamide N'-[(1-cyclopentyl-4-piperidyl)m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.56	7.5	-42.88	3	5	1	63	348.442	5	↓ MOL2 SDF SMILES Flexibase

22999210

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-cyano-phenyl)-N'-[(1-cyclopentyl-4-piperidyl)methyl]oxamide N-(5-chloro-2-cyano-phenyl)-N'-[…

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Activity (Go SEA)

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)	2.79	8.41	-42.72	3	6	1	86	389.907	5	↓ MOL2 SDF SMILES Flexibase

22999211

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(1-cyclopentyl-4-piperidyl)methyl]-N-(3,4-difluorophenyl)oxamide N'-[(1-cyclopentyl-4-piperidyl)m…

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Activity (Go SEA)

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)	2.68	7.55	-44.48	3	5	1	63	366.432	5	↓ MOL2 SDF SMILES Flexibase

22999212

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(1-cyclopentyl-4-piperidyl)methyl]-N-[4-(trifluoromethyl)phenyl]oxamide N'-[(1-cyclopentyl-4-piperidyl)m…

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Activity (Go SEA)

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)	3.32	8.43	-42.58	3	5	1	63	398.449	6	↓ MOL2 SDF SMILES Flexibase

22999213

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-methoxy-phenyl)-N'-[(1-cyclopentyl-4-piperidyl)methyl]oxamide N-(3-chloro-4-methoxy-phenyl)-N'…

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Activity (Go SEA)

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)	3.09	7.29	-44.02	3	6	1	72	394.923	6	↓ MOL2 SDF SMILES Flexibase

22999214

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(1-cyclopentyl-4-piperidyl)methyl]-N-(3-methoxyphenyl)oxamide N'-[(1-cyclopentyl-4-piperidyl)m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.46	6.75	-43.41	3	6	1	72	360.478	6	↓ MOL2 SDF SMILES Flexibase

22999215

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(1-cyclopentyl-4-piperidyl)methyl]-N-(2-ethylphenyl)oxamide N'-[(1-cyclopentyl-4-piperidyl)m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.29	9.37	-40.5	3	5	1	63	358.506	6	↓ MOL2 SDF SMILES Flexibase

22999220

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(1-cyclopentyl-4-piperidyl)methyl]-N-(2,3-dimethylphenyl)oxamide N'-[(1-cyclopentyl-4-piperidyl)m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.23	9.22	-41.04	3	5	1	63	358.506	5	↓ MOL2 SDF SMILES Flexibase

22999221

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-2-methyl-phenyl)-N'-[(1-cyclopentyl-4-piperidyl)methyl]oxamide N-(3-chloro-2-methyl-phenyl)-N'-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.46	9.02	-41	3	5	1	63	378.924	5	↓ MOL2 SDF SMILES Flexibase

22999222

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(1-cyclopentyl-4-piperidyl)methyl]-N-(2-nitrophenyl)oxamide N'-[(1-cyclopentyl-4-piperidyl)m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.34	8.41	-45.44	3	8	1	108	375.449	6	↓ MOL2 SDF SMILES Flexibase

22999223

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(1-cyclopentyl-4-piperidyl)methyl]-N-(4-methyl-2-nitro-phenyl)oxamide N'-[(1-cyclopentyl-4-piperidyl)m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	9.32	-43.8	3	8	1	108	389.476	6	↓ MOL2 SDF SMILES Flexibase

22999225

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-N'-[(1-cyclopentyl-4-piperidyl)methyl]oxamide N-(2-chlorophenyl)-N'-[(1-cyclop…

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Activity (Go SEA)

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)	3.06	8.32	-40.56	3	5	1	63	364.897	5	↓ MOL2 SDF SMILES Flexibase

22999226

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(1-cyclopentyl-4-piperidyl)methyl]-N-(o-tolyl)oxamide N'-[(1-cyclopentyl-4-piperidyl)m…

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Activity (Go SEA)

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	8.53	-41.06	3	5	1	63	344.479	5	↓ MOL2 SDF SMILES Flexibase

22999227

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(1-cyclopentyl-4-piperidyl)methyl]-N-(2,5-dimethylphenyl)oxamide N'-[(1-cyclopentyl-4-piperidyl)m…

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Activity (Go SEA)

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)	3.25	9.22	-41.13	3	5	1	63	358.506	5	↓ MOL2 SDF SMILES Flexibase

22999228

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methyl-phenyl)-N'-[(1-cyclopentyl-4-piperidyl)methyl]oxamide N-(5-chloro-2-methyl-phenyl)-N'-…

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Activity (Go SEA)

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)	3.48	8.77	-41.91	3	5	1	63	378.924	5	↓ MOL2 SDF SMILES Flexibase

22999229

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(1-cyclopentyl-4-piperidyl)methyl]-N-(3-nitrophenyl)oxamide N'-[(1-cyclopentyl-4-piperidyl)m…

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Activity (Go SEA)

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)	2.36	8.11	-45.34	3	8	1	108	375.449	6	↓ MOL2 SDF SMILES Flexibase

22999230

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(1-cyclopentyl-4-piperidyl)methyl]-N-(2-methyl-4-nitro-phenyl)oxamide N'-[(1-cyclopentyl-4-piperidyl)m…

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Activity (Go SEA)

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	8.93	-46.05	3	8	1	108	389.476	6	↓ MOL2 SDF SMILES Flexibase

22999231

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(1-cyclopentyl-4-piperidyl)methyl]-N-(2-methyl-5-nitro-phenyl)oxamide N'-[(1-cyclopentyl-4-piperidyl)m…

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Activity (Go SEA)

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	9.19	-46.49	3	8	1	108	389.476	6	↓ MOL2 SDF SMILES Flexibase

22999232

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-acetamidophenyl)-N'-[(1-cyclopentyl-4-piperidyl)methyl]oxamide N-(4-acetamidophenyl)-N'-[(1-cyc…

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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)	1.64	6.33	-49.74	4	7	1	92	387.504	6	↓ MOL2 SDF SMILES Flexibase

49509355

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(1-cyclopentyl-4-piperidyl)methyl]-N-[2-(trifluoromethyl)phenyl]oxamide N'-[(1-cyclopentyl-4-piperidyl)m…

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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	8.9	-40.18	3	5	1	63	398.449	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 129561
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 129561 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=129561&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "129561"        

    });
</script>

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Physical Representations

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Activity (Go SEA)

Physical Representations

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Activity (Go SEA)

Physical Representations

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Activity (Go SEA)

Physical Representations

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Activity (Go SEA)

Physical Representations

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Activity (Go SEA)

Physical Representations

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Activity (Go SEA)

Physical Representations

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Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

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Activity (Go SEA)

Physical Representations

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Activity (Go SEA)

Physical Representations

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Activity (Go SEA)

Physical Representations

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Activity (Go SEA)

Physical Representations

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Activity (Go SEA)

Physical Representations

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Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations