ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

4888419

Analogs

4888448

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-methoxybenzoyl)amino-N-(o-tolyl)piperidine-1-carboxamide 4-(4-methoxybenzoyl)amino-N-(o-t…

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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	-1.5	-14.3	2	6	0	70	367.449	4	↓ MOL2 SDF SMILES Flexibase

4888421

Analogs

4888461
35289449

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-methylbenzoyl)amino-N,N-bis[4-(3-methylbenzoyl)amino-6-piperidyl]-piperidine-1-carboxamide 4-(3-methylbenzoyl)amino-N,N-bis…

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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)	3.72	9.22	-15.77	2	5	0	61	351.45	3	↓ MOL2 SDF SMILES Flexibase

4888427

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-ethoxybenzoyl)amino-N,N-bis[4-(4-ethoxybenzoyl)amino-6-piperidyl]-piperidine-1-carboxamide 4-(4-ethoxybenzoyl)amino-N,N-bis…

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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)	3.75	-1.72	-14.15	2	6	0	70	381.476	5	↓ MOL2 SDF SMILES Flexibase

4888430

Analogs

4888432
18177499
34971531
35288959
35289066

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-methylbenzoyl)amino-N,N-bis[4-(3-methylbenzoyl)amino-6-piperidyl]-piperidine-1-carboxamide 4-(3-methylbenzoyl)amino-N,N-bis…

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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	-1.62	-13.47	2	6	0	70	367.449	4	↓ MOL2 SDF SMILES Flexibase

4888432

Analogs

34971521
34976077
35289071
4888430

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-ethoxybenzoyl)amino-N,N-bis[4-(4-ethoxybenzoyl)amino-6-piperidyl]-piperidine-1-carboxamide 4-(4-ethoxybenzoyl)amino-N,N-bis…

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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	7.42	-15.1	2	7	0	80	397.475	6	↓ MOL2 SDF SMILES Flexibase

4888435

Analogs

34951593
34971525

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethoxyphenyl)-4-(2-methylbenzoyl)amino-piperidine-1-carboxamide N-(2-ethoxyphenyl)-4-(2-methylbe…

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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)	3.68	8.79	-13.53	2	6	0	71	381.476	5	↓ MOL2 SDF SMILES Flexibase

4888438

Analogs

34976708

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethoxyphenyl)-4-(2-fluorobenzoyl)amino-piperidine-1-carboxamide N-(4-ethoxyphenyl)-4-(2-fluorobe…

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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	-1.43	-20.38	2	6	0	70	385.439	5	↓ MOL2 SDF SMILES Flexibase

4888440

Analogs

34976708
34976743

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethoxyphenyl)-4-(4-fluorobenzoyl)amino-piperidine-1-carboxamide N-(4-ethoxyphenyl)-4-(4-fluorobe…

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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)	3.49	-1.36	-16.22	2	6	0	70	385.439	5	↓ MOL2 SDF SMILES Flexibase

4888441

Analogs

35292224

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethoxyphenyl)-4-(4-methoxybenzoyl)amino-piperidine-1-carboxamide N-(4-ethoxyphenyl)-4-(4-methoxyb…

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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	-2.06	-17.55	2	7	0	79	397.475	6	↓ MOL2 SDF SMILES Flexibase

4888445

Analogs

34976759

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethoxyphenyl)-4-(2-methylbenzoyl)amino-piperidine-1-carboxamide N-(4-ethoxyphenyl)-4-(2-methylbe…

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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)	3.73	-1.83	-15.31	2	6	0	70	381.476	5	↓ MOL2 SDF SMILES Flexibase

4888446

Analogs

34970508

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethoxyphenyl)-4-(3-nitrobenzoyl)amino-piperidine-1-carboxamide N-(4-ethoxyphenyl)-4-(3-nitroben…

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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	-1.58	-23.89	2	9	0	116	412.446	6	↓ MOL2 SDF SMILES Flexibase

4888448

Analogs

4888419

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,6-dimethylphenyl)-4-(4-methoxybenzoyl)amino-piperidine-1-carboxamide N-(2,6-dimethylphenyl)-4-(4-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)	2.82	-1.33	-13.97	2	6	0	70	381.476	4	↓ MOL2 SDF SMILES Flexibase

4888452

Analogs

35292214

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-ethoxybenzoyl)amino-N,N-bis[4-(4-ethoxybenzoyl)amino-6-piperidyl]-piperidine-1-carboxamide 4-(4-ethoxybenzoyl)amino-N,N-bis…

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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	-1.31	-13.77	2	6	0	70	395.503	5	↓ MOL2 SDF SMILES Flexibase

4888453

Analogs

34946726
34950688
35289064

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethylphenyl)-4-(4-methoxybenzoyl)amino-piperidine-1-carboxamide N-(3,5-dimethylphenyl)-4-(4-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)	3.78	-1.43	-14.54	2	6	0	70	381.476	4	↓ MOL2 SDF SMILES Flexibase

4888456

Analogs

34946724
4400845

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-methylbenzoyl)amino-N,N-bis[4-(2-methylbenzoyl)amino-6-piperidyl]-piperidine-1-carboxamide 4-(2-methylbenzoyl)amino-N,N-bis…

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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)	4.12	9.77	-15.07	2	5	0	61	365.477	3	↓ MOL2 SDF SMILES Flexibase

4888458

Analogs

35289464

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethylphenyl)-4-(2-methoxybenzoyl)amino-piperidine-1-carboxamide N-(3,5-dimethylphenyl)-4-(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)	4.28	-0.75	-16.38	2	6	0	70	381.476	4	↓ MOL2 SDF SMILES Flexibase

4888460

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethylphenyl)-4-(4-fluorobenzoyl)amino-piperidine-1-carboxamide N-(2-ethylphenyl)-4-(4-fluoroben…

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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)	3.93	-0.65	-12.74	2	5	0	61	369.44	4	↓ MOL2 SDF SMILES Flexibase

4888461

Analogs

12499663
35288962
35289449
40098881
4888421

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethylphenyl)-4-(3-methylbenzoyl)amino-piperidine-1-carboxamide N-(2-ethylphenyl)-4-(3-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)	4.19	-1.06	-13.09	2	5	0	61	365.477	4	↓ MOL2 SDF SMILES Flexibase

4888463

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-ethoxybenzoyl)amino-N-(2-ethylphenyl)-piperidine-1-carboxamide 4-(4-ethoxybenzoyl)amino-N-(2-et…

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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)	4.20	-1.33	-13.71	2	6	0	70	395.503	6	↓ MOL2 SDF SMILES Flexibase

4888465

Analogs

6251751
34952056
34952068
43265618

Draw Identity 99% 90% 80% 70%

Popular Name: 4-benzoylamino-N,N-bis(4-benzoylamino-6-piperidyl)-piperidine-1-carboxamide 4-benzoylamino-N,N-bis(4-benzoyl…

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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)	3.01	-1.31	-12.25	2	5	0	61	341.386	3	↓ MOL2 SDF SMILES Flexibase

4888466

Analogs

34952057
34972390

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-methoxybenzoyl)amino-N,N-bis[4-(4-methoxybenzoyl)amino-6-piperidyl]-piperidine-1-carboxamide 4-(4-methoxybenzoyl)amino-N,N-bi…

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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	-1.28	-13.23	2	6	0	70	371.412	4	↓ MOL2 SDF SMILES Flexibase

4888468

Analogs

6251751
43265618

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-methylbenzoyl)amino-N,N-bis[4-(3-methylbenzoyl)amino-6-piperidyl]-piperidine-1-carboxamide 4-(3-methylbenzoyl)amino-N,N-bis…

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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)	3.44	-0.99	-12.28	2	5	0	61	355.413	3	↓ MOL2 SDF SMILES Flexibase

4888469

Analogs

34952058

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-chlorobenzoyl)amino-N,N-bis[4-(2-chlorobenzoyl)amino-6-piperidyl]-piperidine-1-carboxamide 4-(2-chlorobenzoyl)amino-N,N-bis…

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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)	3.64	-1.44	-14.75	2	5	0	61	375.831	3	↓ MOL2 SDF SMILES Flexibase

4888471

Analogs

34952057

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-ethoxybenzoyl)amino-N,N-bis[4-(4-ethoxybenzoyl)amino-6-piperidyl]-piperidine-1-carboxamide 4-(4-ethoxybenzoyl)amino-N,N-bis…

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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	-1.26	-12.97	2	6	0	70	385.439	5	↓ MOL2 SDF SMILES Flexibase

4888478

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-benzoylamino-N,N-bis(4-benzoylamino-6-piperidyl)-piperidine-1-carboxamide 4-benzoylamino-N,N-bis(4-benzoyl…

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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)	3.53	8.35	-12.93	2	5	0	61	357.841	3	↓ MOL2 SDF SMILES Flexibase

4888479

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-4-(4-fluorobenzoyl)amino-piperidine-1-carboxamide N-(2-chlorophenyl)-4-(4-fluorobe…

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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)	3.69	-1.34	-11.5	2	5	0	61	375.831	3	↓ MOL2 SDF SMILES Flexibase

4888480

Analogs

34946667

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-methoxybenzoyl)amino-N,N-bis[4-(4-methoxybenzoyl)amino-6-piperidyl]-piperidine-1-carboxamide 4-(4-methoxybenzoyl)amino-N,N-bi…

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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	7.67	-13.38	2	6	0	71	387.867	4	↓ MOL2 SDF SMILES Flexibase

4888482

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-methylbenzoyl)amino-N,N-bis[4-(2-methylbenzoyl)amino-6-piperidyl]-piperidine-1-carboxamide 4-(2-methylbenzoyl)amino-N,N-bis…

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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)	3.93	9.06	-12.07	2	5	0	61	371.868	3	↓ MOL2 SDF SMILES Flexibase

4888483

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-methylbenzoyl)amino-N,N-bis[4-(3-methylbenzoyl)amino-6-piperidyl]-piperidine-1-carboxamide 4-(3-methylbenzoyl)amino-N,N-bis…

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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)	3.95	-1.75	-11.81	2	5	0	61	371.868	3	↓ MOL2 SDF SMILES Flexibase

4888486

Analogs

34952509
34970564

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-4-(4-fluorobenzoyl)amino-piperidine-1-carboxamide N-(3-chlorophenyl)-4-(4-fluorobe…

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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)	3.72	-1.51	-14.27	2	5	0	61	375.831	3	↓ MOL2 SDF SMILES Flexibase

4888488

Analogs

34952513

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-methylbenzoyl)amino-N,N-bis[4-(2-methylbenzoyl)amino-6-piperidyl]-piperidine-1-carboxamide 4-(2-methylbenzoyl)amino-N,N-bis…

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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)	3.95	-2.01	-11.12	2	5	0	61	371.868	3	↓ MOL2 SDF SMILES Flexibase

4888489

Analogs

34946689
34952509
34970569

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-fluorobenzoyl)amino-N,N-bis[4-(3-fluorobenzoyl)amino-6-piperidyl]-piperidine-1-carboxamide 4-(3-fluorobenzoyl)amino-N,N-bis…

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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)	3.69	-1.51	-13.58	2	5	0	61	375.831	3	↓ MOL2 SDF SMILES Flexibase

4888491

Analogs

34946689
34970534
34970537
34970564
34972102

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-fluorobenzoyl)amino-N,N-bis[4-(4-fluorobenzoyl)amino-6-piperidyl]-piperidine-1-carboxamide 4-(4-fluorobenzoyl)amino-N,N-bis…

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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	-1.52	-12.86	2	5	0	61	375.831	3	↓ MOL2 SDF SMILES Flexibase

4888493

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-methylbenzoyl)amino-N,N-bis[4-(2-methylbenzoyl)amino-6-piperidyl]-piperidine-1-carboxamide 4-(2-methylbenzoyl)amino-N,N-bis…

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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)	3.98	-2.01	-11.9	2	5	0	61	371.868	3	↓ MOL2 SDF SMILES Flexibase

4888494

Analogs

34946689
34970534
34970537
34970569

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-fluorobenzoyl)amino-N,N-bis[4-(3-fluorobenzoyl)amino-6-piperidyl]-piperidine-1-carboxamide 4-(3-fluorobenzoyl)amino-N,N-bis…

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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)	3.72	-1.52	-12.08	2	5	0	61	375.831	3	↓ MOL2 SDF SMILES Flexibase

4888496

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-benzoylamino-N,N-bis(4-benzoylamino-6-piperidyl)-piperidine-1-carboxamide 4-benzoylamino-N,N-bis(4-benzoyl…

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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)	3.75	0.31	-13.18	2	5	0	61	391.393	4	↓ MOL2 SDF SMILES Flexibase

15935353

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-fluorobenzoyl)amino]-N-(4-fluorophenyl)piperidine-1-carboxamide 4-[(4-fluorobenzoyl)amino]-N-(4-…

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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	7.87	-15.9	2	5	0	61	359.376	3	↓ MOL2 SDF SMILES Flexibase

15935379

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2-methoxybenzoyl)amino]-N-(p-tolyl)piperidine-1-carboxamide 4-[(2-methoxybenzoyl)amino]-N-(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)	3.90	9.03	-18.67	2	6	0	71	367.449	4	↓ MOL2 SDF SMILES Flexibase

15935703

Analogs

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Popular Name: N-(2-chlorophenyl)-4-[(3-fluorobenzoyl)amino]piperidine-1-carboxamide N-(2-chlorophenyl)-4-[(3-fluorob…

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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)	3.67	8.46	-15.09	2	5	0	61	375.831	3	↓ MOL2 SDF SMILES Flexibase

15935824

Analogs

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Popular Name: 4-[(3-fluorobenzoyl)amino]-N-(4-fluorophenyl)piperidine-1-carboxamide 4-[(3-fluorobenzoyl)amino]-N-(4-…

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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	7.86	-14.78	2	5	0	61	359.376	3	↓ MOL2 SDF SMILES Flexibase

15935911

Analogs

6251751

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2-fluorobenzoyl)amino]-N-(4-fluorophenyl)piperidine-1-carboxamide 4-[(2-fluorobenzoyl)amino]-N-(4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.18	7.85	-19.97	2	5	0	61	359.376	3	↓ MOL2 SDF SMILES Flexibase

15935945

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-benzamido-N-(3-chlorophenyl)piperidine-1-carboxamide 4-benzamido-N-(3-chlorophenyl)pi…

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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)	3.55	8.24	-14.31	2	5	0	61	357.841	3	↓ MOL2 SDF SMILES Flexibase

15935946

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3-fluorobenzoyl)amino]-N-(p-tolyl)piperidine-1-carboxamide 4-[(3-fluorobenzoyl)amino]-N-(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)	3.49	8.54	-17.75	2	5	0	61	355.413	3	↓ MOL2 SDF SMILES Flexibase

15935953

Analogs

34971614

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Popular Name: N-(4-fluorophenyl)-4-[(2-methoxybenzoyl)amino]piperidine-1-carboxamide N-(4-fluorophenyl)-4-[(2-methoxy…

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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)	3.62	8.34	-19.07	2	6	0	71	371.412	4	↓ MOL2 SDF SMILES Flexibase

15936031

Analogs

34971599

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide N-(4-fluorophenyl)-4-[(2-methylb…

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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)	3.46	8.51	-15.24	2	5	0	61	355.413	3	↓ MOL2 SDF SMILES Flexibase

15936035

Analogs

34952057

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide N-(4-fluorophenyl)-4-[(4-methoxy…

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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)	3.12	7.12	-16.6	2	6	0	71	371.412	4	↓ MOL2 SDF SMILES Flexibase

15936049

Analogs

34970576
34970587

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-4-[(4-methylbenzoyl)amino]piperidine-1-carboxamide N-(4-fluorophenyl)-4-[(4-methylb…

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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)	3.51	8.47	-16.06	2	5	0	61	355.413	3	↓ MOL2 SDF SMILES Flexibase

15936137

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-4-[(3-methylbenzoyl)amino]piperidine-1-carboxamide N-(4-fluorophenyl)-4-[(3-methylb…

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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)	3.49	8.46	-16.28	2	5	0	61	355.413	3	↓ MOL2 SDF SMILES Flexibase

15936148

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3-methylbenzoyl)amino]-N-(p-tolyl)piperidine-1-carboxamide 4-[(3-methylbenzoyl)amino]-N-(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)	3.77	9.14	-15.86	2	5	0	61	351.45	3	↓ MOL2 SDF SMILES Flexibase

15936186

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-ethoxybenzoyl)amino]-N-(4-fluorophenyl)piperidine-1-carboxamide 4-[(4-ethoxybenzoyl)amino]-N-(4-…

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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)	3.50	8.05	-16.37	2	6	0	71	385.439	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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