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ZINC Item

Suppliers, Protomers, & Similar Substances

52554281

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[[4-(1-piperidylmethyl)phenyl]methyl]-N-(p-tolyl)oxamide N'-[[4-(1-piperidylmethyl)phenyl…

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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)	2.78	9.32	-39.61	3	5	1	63	366.485	6	↓ MOL2 SDF SMILES Flexibase

52554283

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethylphenyl)-N'-[[4-(1-piperidylmethyl)phenyl]methyl]oxamide N-(3,4-dimethylphenyl)-N'-[[4-(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)	3.16	9.88	-39.8	3	5	1	63	380.512	6	↓ MOL2 SDF SMILES Flexibase

41487371

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.00	9.93	-40.52	3	5	1	63	380.512	6	↓ MOL2 SDF SMILES Flexibase

41487377

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(2-methoxyphenyl)-N-[[4-[(4-methyl-1-piperidyl)methyl]phenyl]methyl]oxamide N'-(2-methoxyphenyl)-N-[[4-[(4-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)	2.58	8.66	-41.53	3	6	1	72	396.511	7	↓ MOL2 SDF SMILES Flexibase

41487383

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.20	9.88	-40.61	3	5	1	63	400.93	6	↓ MOL2 SDF SMILES Flexibase

41487386

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.23	9.78	-40.89	3	5	1	63	400.93	6	↓ MOL2 SDF SMILES Flexibase

41487387

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	9.33	-41.53	3	5	1	63	384.475	6	↓ MOL2 SDF SMILES Flexibase

41487403

Analogs

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Popular Name: N-(5-fluoro-2-methyl-phenyl)-N'-[[4-[(4-methyl-1-piperidyl)methyl]phenyl]methyl]oxamide N-(5-fluoro-2-methyl-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)	3.11	10.22	-41.24	3	5	1	63	398.502	6	↓ MOL2 SDF SMILES Flexibase

41487407

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluoro-2-methyl-phenyl)-N'-[[4-[(4-methyl-1-piperidyl)methyl]phenyl]methyl]oxamide N-(4-fluoro-2-methyl-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)	3.11	10.22	-40.62	3	5	1	63	398.502	6	↓ MOL2 SDF SMILES Flexibase

41487409

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluoro-4-methyl-phenyl)-N'-[[4-[(4-methyl-1-piperidyl)methyl]phenyl]methyl]oxamide N-(3-fluoro-4-methyl-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)	3.11	9.96	-41.69	3	5	1	63	398.502	6	↓ MOL2 SDF SMILES Flexibase

41487410

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluoro-4-methyl-phenyl)-N'-[[4-[(4-methyl-1-piperidyl)methyl]phenyl]methyl]oxamide N-(2-fluoro-4-methyl-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)	3.11	10.05	-40.9	3	5	1	63	398.502	6	↓ MOL2 SDF SMILES Flexibase

41487412

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluoro-5-methyl-phenyl)-N'-[[4-[(4-methyl-1-piperidyl)methyl]phenyl]methyl]oxamide N-(2-fluoro-5-methyl-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)	3.11	10.04	-41.1	3	5	1	63	398.502	6	↓ MOL2 SDF SMILES Flexibase

41487997

Analogs

41487998

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[[4-[[(3S)-3-methyl-1-piperidyl]methyl]phenyl]methyl]-N-(m-tolyl)oxamide N'-[[4-[[(3S)-3-methyl-1-piperid…

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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)	3.00	9.9	-39.87	3	5	1	63	380.512	6	↓ MOL2 SDF SMILES Flexibase

41487998

Analogs

41487997

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[[4-[[(3R)-3-methyl-1-piperidyl]methyl]phenyl]methyl]-N-(m-tolyl)oxamide N'-[[4-[[(3R)-3-methyl-1-piperid…

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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)	3.00	9.9	-39.86	3	5	1	63	380.512	6	↓ MOL2 SDF SMILES Flexibase

41487999

Analogs

41488000

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(3-ethynylphenyl)-N-[[4-[[(3R)-3-methyl-1-piperidyl]methyl]phenyl]methyl]oxamide N'-(3-ethynylphenyl)-N-[[4-[[(3R…

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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)	2.31	10.43	-42.08	3	5	1	63	390.507	6	↓ MOL2 SDF SMILES Flexibase

41488000

Analogs

41487999

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(3-ethynylphenyl)-N-[[4-[[(3S)-3-methyl-1-piperidyl]methyl]phenyl]methyl]oxamide N'-(3-ethynylphenyl)-N-[[4-[[(3S…

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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)	2.31	10.43	-42.08	3	5	1	63	390.507	6	↓ MOL2 SDF SMILES Flexibase

41488007

Analogs

41488008

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(3R)-3-methyl-1-piperidyl]methyl]phenyl]methyl]-N'-phenyl-oxamide N-[[4-[[(3R)-3-methyl-1-piperidy…

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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)	2.57	9.23	-39.87	3	5	1	63	366.485	6	↓ MOL2 SDF SMILES Flexibase

41488008

Analogs

41488007

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(3S)-3-methyl-1-piperidyl]methyl]phenyl]methyl]-N'-phenyl-oxamide N-[[4-[[(3S)-3-methyl-1-piperidy…

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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)	2.57	9.24	-39.82	3	5	1	63	366.485	6	↓ MOL2 SDF SMILES Flexibase

41488011

Analogs

41488012

Draw Identity 99% 90% 80% 70%

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

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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)	2.61	8.53	-41.63	3	6	1	72	396.511	7	↓ MOL2 SDF SMILES Flexibase

41488012

Analogs

41488011

Draw Identity 99% 90% 80% 70%

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

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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)	2.61	8.54	-41.64	3	6	1	72	396.511	7	↓ MOL2 SDF SMILES Flexibase

41488021

Analogs

41488022
41588145
41588147
41588149

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

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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)	2.74	9.3	-40.16	3	5	1	63	384.475	6	↓ MOL2 SDF SMILES Flexibase

41488022

Analogs

41588145
41588147
41588149
41488021

Draw Identity 99% 90% 80% 70%

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

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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)	2.74	9.3	-40.22	3	5	1	63	384.475	6	↓ MOL2 SDF SMILES Flexibase

41488027

Analogs

41488028

Draw Identity 99% 90% 80% 70%

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

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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)	3.20	9.86	-39.92	3	5	1	63	400.93	6	↓ MOL2 SDF SMILES Flexibase

41488028

Analogs

41488027

Draw Identity 99% 90% 80% 70%

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

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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)	3.20	9.86	-39.9	3	5	1	63	400.93	6	↓ MOL2 SDF SMILES Flexibase

41488033

Analogs

41488034
41588219
41588221
41588224

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

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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	9.3	-40.88	3	5	1	63	384.475	6	↓ MOL2 SDF SMILES Flexibase

41488034

Analogs

41588219
41588221
41588224
41488033

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

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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	9.3	-40.89	3	5	1	63	384.475	6	↓ MOL2 SDF SMILES Flexibase

41488037

Analogs

41488038

Draw Identity 99% 90% 80% 70%

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

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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)	3.25	9.76	-39.63	3	5	1	63	400.93	6	↓ MOL2 SDF SMILES Flexibase

41488038

Analogs

41488037

Draw Identity 99% 90% 80% 70%

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

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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)	3.25	9.76	-39.68	3	5	1	63	400.93	6	↓ MOL2 SDF SMILES Flexibase

41488043

Analogs

41488044

Draw Identity 99% 90% 80% 70%

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

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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)	2.69	9.34	-40.54	3	5	1	63	384.475	6	↓ MOL2 SDF SMILES Flexibase

41488044

Analogs

41488043

Draw Identity 99% 90% 80% 70%

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

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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)	2.69	9.34	-40.58	3	5	1	63	384.475	6	↓ MOL2 SDF SMILES Flexibase

41488065

Analogs

41488066

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluoro-4-methyl-phenyl)-N'-[[4-[[(3S)-3-methyl-1-piperidyl]methyl]phenyl]methyl]oxamide N-(3-fluoro-4-methyl-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)	3.11	9.94	-40.95	3	5	1	63	398.502	6	↓ MOL2 SDF SMILES Flexibase

41488066

Analogs

41488065

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluoro-4-methyl-phenyl)-N'-[[4-[[(3R)-3-methyl-1-piperidyl]methyl]phenyl]methyl]oxamide N-(3-fluoro-4-methyl-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)	3.11	9.94	-41.02	3	5	1	63	398.502	6	↓ MOL2 SDF SMILES Flexibase

41488077

Analogs

41488078

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluoro-4-methyl-phenyl)-N'-[[4-[[(3S)-3-methyl-1-piperidyl]methyl]phenyl]methyl]oxamide N-(2-fluoro-4-methyl-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)	3.11	10.02	-40.26	3	5	1	63	398.502	6	↓ MOL2 SDF SMILES Flexibase

41488078

Analogs

41488077

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Popular Name: N-(2-fluoro-4-methyl-phenyl)-N'-[[4-[[(3R)-3-methyl-1-piperidyl]methyl]phenyl]methyl]oxamide N-(2-fluoro-4-methyl-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)	3.11	10.02	-40.23	3	5	1	63	398.502	6	↓ MOL2 SDF SMILES Flexibase

41588145

Analogs

41488021
41488022

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Popular Name: N-[[4-[[(3S,5R)-3,5-dimethyl-1-piperidyl]methyl]phenyl]methyl]-N'-(4-fluorophenyl)oxamide N-[[4-[[(3S,5R)-3,5-dimethyl-1-p…

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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)	3.21	9.9	-40.62	3	5	1	63	398.502	6	↓ MOL2 SDF SMILES Flexibase

41588147

Analogs

41488021
41488022

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Popular Name: N-[[4-[[(3S,5S)-3,5-dimethyl-1-piperidyl]methyl]phenyl]methyl]-N'-(4-fluorophenyl)oxamide N-[[4-[[(3S,5S)-3,5-dimethyl-1-p…

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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)	3.21	9.9	-40.08	3	5	1	63	398.502	6	↓ MOL2 SDF SMILES Flexibase

41588149

Analogs

41488021
41488022

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Popular Name: N-[[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]methyl]phenyl]methyl]-N'-(4-fluorophenyl)oxamide N-[[4-[[(3R,5R)-3,5-dimethyl-1-p…

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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)	3.21	9.9	-40.11	3	5	1	63	398.502	6	↓ MOL2 SDF SMILES Flexibase

41588219

Analogs

41488033
41488034

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Popular Name: N-[[4-[[(3S,5R)-3,5-dimethyl-1-piperidyl]methyl]phenyl]methyl]-N'-(3-fluorophenyl)oxamide N-[[4-[[(3S,5R)-3,5-dimethyl-1-p…

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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)	3.19	9.9	-41.31	3	5	1	63	398.502	6	↓ MOL2 SDF SMILES Flexibase

41588221

Analogs

41488033
41488034

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Popular Name: N-[[4-[[(3S,5S)-3,5-dimethyl-1-piperidyl]methyl]phenyl]methyl]-N'-(3-fluorophenyl)oxamide N-[[4-[[(3S,5S)-3,5-dimethyl-1-p…

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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)	3.19	9.9	-40.79	3	5	1	63	398.502	6	↓ MOL2 SDF SMILES Flexibase

41588224

Analogs

41488033
41488034

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Popular Name: N-[[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]methyl]phenyl]methyl]-N'-(3-fluorophenyl)oxamide N-[[4-[[(3R,5R)-3,5-dimethyl-1-p…

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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)	3.19	9.9	-40.8	3	5	1	63	398.502	6	↓ MOL2 SDF SMILES Flexibase

49382251

Analogs

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Popular Name: N-(m-tolyl)-N'-[[4-(1-piperidylmethyl)phenyl]methyl]oxamide N-(m-tolyl)-N'-[[4-(1-piperidylm…

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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	9.31	-39.57	3	5	1	63	366.485	6	↓ MOL2 SDF SMILES Flexibase

49382346

Analogs

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Popular Name: N-(3-chlorophenyl)-N'-[[4-(1-piperidylmethyl)phenyl]methyl]oxamide N-(3-chlorophenyl)-N'-[[4-(1-pip…

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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	9.16	-39.96	3	5	1	63	386.903	6	↓ MOL2 SDF SMILES Flexibase

49382355

Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)-N'-[[4-(1-piperidylmethyl)phenyl]methyl]oxamide N-(3-chloro-4-methyl-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)	3.39	9.74	-39.95	3	5	1	63	400.93	6	↓ MOL2 SDF SMILES Flexibase

49382408

Analogs

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Popular Name: N-(4-chloro-2-methyl-phenyl)-N'-[[4-(1-piperidylmethyl)phenyl]methyl]oxamide N-(4-chloro-2-methyl-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)	3.39	10.04	-39.11	3	5	1	63	400.93	6	↓ MOL2 SDF SMILES Flexibase

49382420

Analogs

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Popular Name: N-(2-fluorophenyl)-N'-[[4-(1-piperidylmethyl)phenyl]methyl]oxamide N-(2-fluorophenyl)-N'-[[4-(1-pip…

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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)	2.45	8.75	-40.23	3	5	1	63	370.448	6	↓ MOL2 SDF SMILES Flexibase

49382422

Analogs

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Popular Name: N-(3-chloro-2-methyl-phenyl)-N'-[[4-(1-piperidylmethyl)phenyl]methyl]oxamide N-(3-chloro-2-methyl-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)	3.36	9.93	-39.3	3	5	1	63	400.93	6	↓ MOL2 SDF SMILES Flexibase

49382520

Analogs

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Popular Name: N-(3,5-dimethylphenyl)-N'-[[4-(1-piperidylmethyl)phenyl]methyl]oxamide N-(3,5-dimethylphenyl)-N'-[[4-(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)	3.16	9.99	-39.68	3	5	1	63	380.512	6	↓ MOL2 SDF SMILES Flexibase

49382524

Analogs

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Popular Name: N-(5-fluoro-2-methyl-phenyl)-N'-[[4-(1-piperidylmethyl)phenyl]methyl]oxamide N-(5-fluoro-2-methyl-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)	2.87	9.6	-40.26	3	5	1	63	384.475	6	↓ MOL2 SDF SMILES Flexibase

49382564

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluoro-4-methyl-phenyl)-N'-[[4-(1-piperidylmethyl)phenyl]methyl]oxamide N-(3-fluoro-4-methyl-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)	2.87	9.34	-40.67	3	5	1	63	384.475	6	↓ MOL2 SDF SMILES Flexibase

49382722

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethoxyphenyl)-N'-[[4-(1-piperidylmethyl)phenyl]methyl]oxamide N-(2-ethoxyphenyl)-N'-[[4-(1-pip…

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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)	2.72	8.98	-40.39	3	6	1	72	396.511	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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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 = 256911 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<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', {
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