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ZINC Item

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33221628

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluoro-2-iodo-benzoyl)-N-phenyl-piperidine-4-carboxamide 1-(4-fluoro-2-iodo-benzoyl)-N-ph…

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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)	3.66	9.35	-20.28	1	4	0	49	452.267	3	↓ MOL2 SDF SMILES Flexibase

33221637

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-iodo-3-methyl-benzoyl)-N-phenyl-piperidine-4-carboxamide 1-(2-iodo-3-methyl-benzoyl)-N-ph…

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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)	3.92	9.9	-17.56	1	4	0	49	448.304	3	↓ MOL2 SDF SMILES Flexibase

33221638

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-chloro-2-iodo-benzoyl)-N-phenyl-piperidine-4-carboxamide 1-(5-chloro-2-iodo-benzoyl)-N-ph…

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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)	4.17	9.8	-15.01	1	4	0	49	468.722	3	↓ MOL2 SDF SMILES Flexibase

11836546

Analogs

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Popular Name: 1-(2,4-difluorobenzoyl)-N-(4-methylsulfanylphenyl)-piperidine-4-carboxamide 1-(2,4-difluorobenzoyl)-N-(4-met…

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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)	3.17	0.54	-23.39	1	4	0	49	390.455	4	↓ MOL2 SDF SMILES Flexibase

20002047

Analogs

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Popular Name: 1-(4-bromobenzoyl)-N-(5-chloro-2,4-dimethoxy-phenyl)piperidine-4-carboxamide 1-(4-bromobenzoyl)-N-(5-chloro-2…

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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)	3.94	8.19	-18.27	1	6	0	68	481.774	5	↓ MOL2 SDF SMILES Flexibase

20003563

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-bromobenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide 1-(4-bromobenzoyl)-N-(2-ethylphe…

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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)	4.16	10.55	-18.45	1	4	0	49	415.331	4	↓ MOL2 SDF SMILES Flexibase

12037921

Analogs

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Popular Name: 1-(4-chlorobenzoyl)-N-(4-methylsulfanylphenyl)-piperidine-4-carboxamide 1-(4-chlorobenzoyl)-N-(4-methyls…

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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)	3.59	-1.01	-17.93	1	4	0	49	388.92	4	↓ MOL2 SDF SMILES Flexibase

12038146

Analogs

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Popular Name: 1-(2-methylbenzoyl)-N-(4-methylsulfanylphenyl)-piperidine-4-carboxamide 1-(2-methylbenzoyl)-N-(4-methyls…

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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)	3.32	-0.64	-17.97	1	4	0	49	368.502	4	↓ MOL2 SDF SMILES Flexibase

12038150

Analogs

39761178

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorobenzoyl)-N-(4-methylsulfanylphenyl)-piperidine-4-carboxamide 1-(4-fluorobenzoyl)-N-(4-methyls…

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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	-0.12	-18.33	1	4	0	49	372.465	4	↓ MOL2 SDF SMILES Flexibase

12039828

Analogs

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Popular Name: N-(3,5-dichlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide N-(3,5-dichlorophenyl)-1-(3,5-di…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.81	-0.75	-16.34	1	6	0	68	437.323	5	↓ MOL2 SDF SMILES Flexibase

12039837

Analogs

39755695

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-fluoro-phenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide N-(3-chloro-4-fluoro-phenyl)-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	-0.23	-18.57	1	4	0	49	429.706	3	↓ MOL2 SDF SMILES Flexibase

22650297

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(cyanomethoxy)phenyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide N-[4-(cyanomethoxy)phenyl]-1-(2,…

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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	8.36	-32.61	1	6	0	82	399.397	5	↓ MOL2 SDF SMILES Flexibase

12678214

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-difluorobenzoyl)-N-[3-(dimethylsulfamoyl)phenyl]-piperidine-4-carboxamide 1-(2,4-difluorobenzoyl)-N-[3-(di…

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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)	2.03	6.4	-32.45	1	7	0	87	451.495	5	↓ MOL2 SDF SMILES Flexibase

13008646

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-3-oxo-propyl)-1-(4-chlorobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide N-(3-amino-3-oxo-propyl)-1-(4-ch…

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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)	2.42	7.53	-20.43	2	7	0	93	443.931	7	↓ MOL2 SDF SMILES Flexibase

13258557

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1-(4-chlorobenzoyl)piperidine-4-carbonyl]amino]-4-methyl-benzoic 3-[[1-(4-chlorobenzoyl)piperidin…

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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)	3.45	9.27	-72.72	1	6	-1	90	399.854	4	↓ MOL2 SDF SMILES Flexibase

13258568

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-3-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]benzoic 4-methyl-3-[[1-(2-methylbenzoyl)…

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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)	3.17	9.48	-75.99	1	6	-1	90	379.436	4	↓ MOL2 SDF SMILES Flexibase

13258569

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]-4-methyl-benzoic 3-[[1-(4-fluorobenzoyl)piperidin…

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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)	2.93	8.82	-73.02	1	6	-1	90	383.399	4	↓ MOL2 SDF SMILES Flexibase

13258647

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]-4-methyl-benzoic 3-[[1-(4-bromobenzoyl)piperidine…

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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)	3.58	9.38	-72.63	1	6	-1	90	444.305	4	↓ MOL2 SDF SMILES Flexibase

13259435

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1-(4-chlorobenzoyl)piperidine-4-carbonyl]amino]benzoic 3-[[1-(4-chlorobenzoyl)piperidin…

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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)	3.05	8.44	-73.77	1	6	-1	90	385.827	4	↓ MOL2 SDF SMILES Flexibase

13259444

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]benzoic 3-[[1-(2-methylbenzoyl)piperidin…

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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)	2.77	8.51	-74.11	1	6	-1	90	365.409	4	↓ MOL2 SDF SMILES Flexibase

13259445

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]benzoic 3-[[1-(4-fluorobenzoyl)piperidin…

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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)	2.53	7.99	-74.12	1	6	-1	90	369.372	4	↓ MOL2 SDF SMILES Flexibase

13259519

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]benzoic 3-[[1-(4-bromobenzoyl)piperidine…

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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	8.54	-73.68	1	6	-1	90	430.278	4	↓ MOL2 SDF SMILES Flexibase

13259652

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[1-(4-chlorobenzoyl)piperidine-4-carbonyl]amino]benzoic 4-[[1-(4-chlorobenzoyl)piperidin…

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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)	3.07	8.44	-65.2	1	6	-1	90	385.827	4	↓ MOL2 SDF SMILES Flexibase

13259659

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]benzoic 4-[[1-(2-methylbenzoyl)piperidin…

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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)	2.79	8.54	-65.23	1	6	-1	90	365.409	4	↓ MOL2 SDF SMILES Flexibase

13259660

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]benzoic 4-[[1-(4-fluorobenzoyl)piperidin…

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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)	2.56	7.99	-65.57	1	6	-1	90	369.372	4	↓ MOL2 SDF SMILES Flexibase

13259735

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]benzoic 4-[[1-(4-bromobenzoyl)piperidine…

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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	8.56	-65.05	1	6	-1	90	430.278	4	↓ MOL2 SDF SMILES Flexibase

13260130

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[[1-(4-chlorobenzoyl)piperidine-4-carbonyl]amino]benzoic 5-chloro-2-[[1-(4-chlorobenzoyl)…

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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)	3.86	9.22	-47.18	1	6	-1	90	420.272	4	↓ MOL2 SDF SMILES Flexibase

13260140

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]benzoic 5-chloro-2-[[1-(2-methylbenzoyl)…

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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)	3.58	9.47	-48.51	1	6	-1	90	399.854	4	↓ MOL2 SDF SMILES Flexibase

13260141

Analogs

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Popular Name: 5-chloro-2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]benzoic 5-chloro-2-[[1-(4-fluorobenzoyl)…

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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)	3.34	8.77	-47.49	1	6	-1	90	403.817	4	↓ MOL2 SDF SMILES Flexibase

13260210

Analogs

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Popular Name: 2-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]-5-chloro-benzoic 2-[[1-(4-bromobenzoyl)piperidine…

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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)	3.99	9.33	-47.14	1	6	-1	90	464.723	4	↓ MOL2 SDF SMILES Flexibase

13260350

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-[[1-(4-chlorobenzoyl)piperidine-4-carbonyl]amino]benzoic 5-bromo-2-[[1-(4-chlorobenzoyl)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)	3.99	9.33	-47.14	1	6	-1	90	464.723	4	↓ MOL2 SDF SMILES Flexibase

13260368

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]benzoic 5-bromo-2-[[1-(2-methylbenzoyl)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)	3.71	9.58	-48.42	1	6	-1	90	444.305	4	↓ MOL2 SDF SMILES Flexibase

13260369

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]benzoic 5-bromo-2-[[1-(4-fluorobenzoyl)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)	3.47	8.87	-47.46	1	6	-1	90	448.268	4	↓ MOL2 SDF SMILES Flexibase

13260882

Analogs

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Popular Name: 2-[[1-(4-chlorobenzoyl)piperidine-4-carbonyl]amino]-4,5-dimethoxy-benzoic 2-[[1-(4-chlorobenzoyl)piperidin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.83	7.99	-49.63	1	8	-1	108	445.879	6	↓ MOL2 SDF SMILES Flexibase

13260892

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5-dimethoxy-2-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]benzoic 4,5-dimethoxy-2-[[1-(2-methylben…

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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	8.18	-50.03	1	8	-1	108	425.461	6	↓ MOL2 SDF SMILES Flexibase

13260893

Analogs

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Popular Name: 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]-4,5-dimethoxy-benzoic 2-[[1-(4-fluorobenzoyl)piperidin…

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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	7.54	-50.42	1	8	-1	108	429.424	6	↓ MOL2 SDF SMILES Flexibase

13260960

Analogs

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Popular Name: 2-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]-4,5-dimethoxy-benzoic 2-[[1-(4-bromobenzoyl)piperidine…

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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)	2.96	8.09	-49.99	1	8	-1	108	490.33	6	↓ MOL2 SDF SMILES Flexibase

13261101

Analogs

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Popular Name: 5-chloro-4-[[1-(4-chlorobenzoyl)piperidine-4-carbonyl]amino]-2-methoxy-benzoic 5-chloro-4-[[1-(4-chlorobenzoyl)…

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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)	3.74	9.08	-63.31	1	7	-1	99	450.298	5	↓ MOL2 SDF SMILES Flexibase

13261112

Analogs

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Popular Name: 5-chloro-2-methoxy-4-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]benzoic 5-chloro-2-methoxy-4-[[1-(2-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.47	9.3	-63.2	1	7	-1	99	429.88	5	↓ MOL2 SDF SMILES Flexibase

13261113

Analogs

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Popular Name: 5-chloro-4-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]-2-methoxy-benzoic 5-chloro-4-[[1-(4-fluorobenzoyl)…

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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	8.63	-63.69	1	7	-1	99	433.843	5	↓ MOL2 SDF SMILES Flexibase

13261176

Analogs

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Popular Name: 4-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]-5-chloro-2-methoxy-benzoic 4-[[1-(4-bromobenzoyl)piperidine…

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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)	3.87	9.19	-63.22	1	7	-1	99	494.749	5	↓ MOL2 SDF SMILES Flexibase

13261322

Analogs

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Popular Name: 2-[[1-(4-chlorobenzoyl)piperidine-4-carbonyl]amino]benzoic 2-[[1-(4-chlorobenzoyl)piperidin…

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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	8.76	-50.44	1	6	-1	90	385.827	4	↓ MOL2 SDF SMILES Flexibase

13261332

Analogs

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Popular Name: 2-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]benzoic 2-[[1-(2-methylbenzoyl)piperidin…

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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)	2.93	8.94	-50.94	1	6	-1	90	365.409	4	↓ MOL2 SDF SMILES Flexibase

13261333

Analogs

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Popular Name: 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]benzoic 2-[[1-(4-fluorobenzoyl)piperidin…

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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	8.3	-50.71	1	6	-1	90	369.372	4	↓ MOL2 SDF SMILES Flexibase

13261401

Analogs

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Popular Name: 2-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]benzoic 2-[[1-(4-bromobenzoyl)piperidine…

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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)	3.33	8.86	-50.35	1	6	-1	90	430.278	4	↓ MOL2 SDF SMILES Flexibase

22993683

Analogs

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Popular Name: 1-(2,4-difluorobenzoyl)-N-(3-methanesulfonamido-4-methoxy-phenyl)piperidine-4-carboxamide 1-(2,4-difluorobenzoyl)-N-(3-met…

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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)	1.95	4.61	-26.55	2	8	0	105	467.494	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.95	4.65	-52.76	1	8	-1	107	466.486	6	↓ MOL2 SDF SMILES Flexibase

13425720

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[1-(4-chlorobenzoyl)piperidine-4-carbonyl]amino]benzoic 4-chloro-2-[[1-(4-chlorobenzoyl)…

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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)	3.86	9.27	-46.31	1	6	-1	90	420.272	4	↓ MOL2 SDF SMILES Flexibase

13425730

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]benzoic 4-chloro-2-[[1-(2-methylbenzoyl)…

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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)	3.58	9.46	-46.41	1	6	-1	90	399.854	4	↓ MOL2 SDF SMILES Flexibase

13425731

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]benzoic 4-chloro-2-[[1-(4-fluorobenzoyl)…

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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)	3.34	8.82	-46.58	1	6	-1	90	403.817	4	↓ MOL2 SDF SMILES Flexibase

13425798

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]-4-chloro-benzoic 2-[[1-(4-bromobenzoyl)piperidine…

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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)	3.99	9.38	-46.22	1	6	-1	90	464.723	4	↓ 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 = 12881 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=12881&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">
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