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ZINC Item

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20889539

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[1-[(2-chlorophenyl)methyl]-4-piperidyl]methyl]-3-(2,4-difluorophenyl)urea 1-[[1-[(2-chlorophenyl)methyl]-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)	4.53	10.42	-44.37	3	4	1	46	394.873	5	↓ MOL2 SDF SMILES Flexibase

20889549

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1-[(2-chlorophenyl)methyl]-4-piperidyl]methyl]-1-(3,5-dimethoxyphenyl)urea 3-[[1-[(2-chlorophenyl)methyl]-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)	4.32	8.85	-49.88	3	6	1	64	418.945	7	↓ MOL2 SDF SMILES Flexibase

20889553

Analogs

34850621
34850720

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1-[(2-chlorophenyl)methyl]-4-piperidyl]methyl]-1-(2-methoxy-5-methyl-phenyl)urea 3-[[1-[(2-chlorophenyl)methyl]-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)	4.71	10.35	-45.31	3	5	1	55	402.946	6	↓ MOL2 SDF SMILES Flexibase

20889557

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1-[(2-chlorophenyl)methyl]-4-piperidyl]methyl]-1-(3-methylsulfanylphenyl)urea 3-[[1-[(2-chlorophenyl)methyl]-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)	4.69	11.25	-49.69	3	4	1	46	404.987	6	↓ MOL2 SDF SMILES Flexibase

20889562

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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)	4.80	11.78	-54.15	3	6	1	72	430.956	8	↓ MOL2 SDF SMILES Flexibase

20889566

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1-[(2-chlorophenyl)methyl]-4-piperidyl]methyl]-1-(4-fluoro-3-methyl-phenyl)urea 3-[[1-[(2-chlorophenyl)methyl]-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)	4.82	10.83	-49.09	3	4	1	46	390.91	5	↓ MOL2 SDF SMILES Flexibase

20889571

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[1-[(2-chlorophenyl)methyl]-4-piperidyl]methyl]-3-(2,5-difluorophenyl)urea 1-[[1-[(2-chlorophenyl)methyl]-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)	4.53	10.42	-45.84	3	4	1	46	394.873	5	↓ MOL2 SDF SMILES Flexibase

20889575

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methyl]-1-(3-methylsulfanylphenyl)urea 3-[[1-[(4-chlorophenyl)methyl]-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)	4.73	11.27	-57.8	3	4	1	46	404.987	6	↓ MOL2 SDF SMILES Flexibase

20889578

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methyl]-1-(4-ethylphenyl)urea 3-[[1-[(4-chlorophenyl)methyl]-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)	5.24	11.55	-54.92	3	4	1	46	386.947	6	↓ MOL2 SDF SMILES Flexibase

20889582

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methyl]-1-(2-fluorophenyl)urea 3-[[1-[(4-chlorophenyl)methyl]-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)	4.44	10.25	-52.56	3	4	1	46	376.883	5	↓ MOL2 SDF SMILES Flexibase

20889586

Analogs

35482775

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(5-chloro-2,4-dimethoxy-phenyl)-1-[[1-(p-tolylmethyl)-4-piperidyl]methyl]urea 3-(5-chloro-2,4-dimethoxy-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)	4.74	9.72	-51.81	3	6	1	64	432.972	7	↓ MOL2 SDF SMILES Flexibase

20889590

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-bromophenyl)-1-[[1-(p-tolylmethyl)-4-piperidyl]methyl]urea 3-(2-bromophenyl)-1-[[1-(p-tolyl…

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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)	4.86	11.18	-47.12	3	4	1	46	417.371	5	↓ MOL2 SDF SMILES Flexibase

20889595

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[1-(p-tolylmethyl)-4-piperidyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea 1-[[1-(p-tolylmethyl)-4-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)	4.97	11.37	-50.38	3	4	1	46	406.472	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.59	10.12	-91.96	4	4	2	51	407.48	7	↓ MOL2 SDF SMILES Flexibase

20889599

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-chloro-4-fluoro-phenyl)-1-[[1-(p-tolylmethyl)-4-piperidyl]methyl]urea 3-(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)	4.87	10.87	-53.79	3	4	1	46	390.91	5	↓ MOL2 SDF SMILES Flexibase

20889603

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-bromophenyl)-1-[[1-(p-tolylmethyl)-4-piperidyl]methyl]urea 3-(3-bromophenyl)-1-[[1-(p-tolyl…

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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)	4.88	11.01	-49.48	3	4	1	46	417.371	5	↓ MOL2 SDF SMILES Flexibase

20889607

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-methylsulfanylphenyl)-1-[[1-(p-tolylmethyl)-4-piperidyl]methyl]urea 3-(3-methylsulfanylphenyl)-1-[[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)	4.51	11.42	-52.96	3	4	1	46	384.569	6	↓ MOL2 SDF SMILES Flexibase

20889610

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-methylsulfanylphenyl)-1-[[1-(m-tolylmethyl)-4-piperidyl]methyl]urea 3-(3-methylsulfanylphenyl)-1-[[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)	4.48	11.33	-52.86	3	4	1	46	384.569	6	↓ MOL2 SDF SMILES Flexibase

20889613

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-bromophenyl)-1-[[1-(m-tolylmethyl)-4-piperidyl]methyl]urea 3-(2-bromophenyl)-1-[[1-(m-tolyl…

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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)	4.83	11.07	-47.2	3	4	1	46	417.371	5	↓ MOL2 SDF SMILES Flexibase

20889617

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(5-chloro-2,4-dimethoxy-phenyl)-1-[[1-[(2,5-dimethylphenyl)methyl]-4-piperidyl]methyl]urea 3-(5-chloro-2,4-dimethoxy-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)	5.12	10.3	-51.42	3	6	1	64	446.999	7	↓ MOL2 SDF SMILES Flexibase

20889621

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1-[(3-chlorophenyl)methyl]-4-piperidyl]methyl]-1-(3-methylsulfanylphenyl)urea 3-[[1-[(3-chlorophenyl)methyl]-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)	4.71	11.18	-55.51	3	4	1	46	404.987	6	↓ MOL2 SDF SMILES Flexibase

20889626

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[1-[(3-chlorophenyl)methyl]-4-piperidyl]methyl]-3-(2,5-difluorophenyl)urea 1-[[1-[(3-chlorophenyl)methyl]-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)	4.56	10.3	-52.15	3	4	1	46	394.873	5	↓ MOL2 SDF SMILES Flexibase

20889629

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[1-[(3-chlorophenyl)methyl]-4-piperidyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea 1-[[1-[(3-chlorophenyl)methyl]-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)	5.17	11.25	-52.94	3	4	1	46	426.89	6	↓ MOL2 SDF SMILES Flexibase

20889632

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1-[(3-chlorophenyl)methyl]-4-piperidyl]methyl]-1-(2,4-dimethylphenyl)urea 3-[[1-[(3-chlorophenyl)methyl]-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)	5.13	11.58	-53.39	3	4	1	46	386.947	5	↓ MOL2 SDF SMILES Flexibase

20889636

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1-[(3-chlorophenyl)methyl]-4-piperidyl]methyl]-1-(p-tolyl)urea 3-[[1-[(3-chlorophenyl)methyl]-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)	4.75	10.76	-53.22	3	4	1	46	372.92	5	↓ MOL2 SDF SMILES Flexibase

20889640

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1-[(3-chlorophenyl)methyl]-4-piperidyl]methyl]-1-(2-methoxy-5-methyl-phenyl)urea 3-[[1-[(3-chlorophenyl)methyl]-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)	4.73	10.23	-51.73	3	5	1	55	402.946	6	↓ MOL2 SDF SMILES Flexibase

20889644

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1-[(3-chlorophenyl)methyl]-4-piperidyl]methyl]-1-(2-ethylphenyl)urea 3-[[1-[(3-chlorophenyl)methyl]-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)	5.17	11.77	-52.72	3	4	1	46	386.947	6	↓ MOL2 SDF SMILES Flexibase

20889648

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,5-dimethoxyphenyl)-1-[[1-(o-tolylmethyl)-4-piperidyl]methyl]urea 3-(2,5-dimethoxyphenyl)-1-[[1-(o…

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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)	4.09	9.18	-50.18	3	6	1	64	398.527	7	↓ MOL2 SDF SMILES Flexibase

20889653

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1-(o-tolylmethyl)-4-piperidyl]methyl]-1-(p-tolyl)urea 3-[[1-(o-tolylmethyl)-4-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)	4.50	10.95	-49.83	3	4	1	46	352.502	5	↓ MOL2 SDF SMILES Flexibase

20889657

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-ethoxyphenyl)-3-[[1-(o-tolylmethyl)-4-piperidyl]methyl]urea 1-(4-ethoxyphenyl)-3-[[1-(o-toly…

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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)	4.48	10.55	-51.5	3	5	1	55	382.528	7	↓ MOL2 SDF SMILES Flexibase

20889661

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-fluoro-4-methyl-phenyl)-1-[[1-(o-tolylmethyl)-4-piperidyl]methyl]urea 3-(3-fluoro-4-methyl-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)	4.59	11.02	-52.92	3	4	1	46	370.492	5	↓ MOL2 SDF SMILES Flexibase

20889664

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-methylsulfanylphenyl)-1-[[1-(o-tolylmethyl)-4-piperidyl]methyl]urea 3-(3-methylsulfanylphenyl)-1-[[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)	4.46	11.44	-51.92	3	4	1	46	384.569	6	↓ MOL2 SDF SMILES Flexibase

20889668

Analogs

13363849

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(m-tolyl)-3-[[1-(o-tolylmethyl)-4-piperidyl]methyl]urea 1-(m-tolyl)-3-[[1-(o-tolylmethyl…

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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)	4.47	11.07	-49.41	3	4	1	46	352.502	5	↓ MOL2 SDF SMILES Flexibase

20889672

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-ethoxyphenyl)-3-[[1-(o-tolylmethyl)-4-piperidyl]methyl]urea 1-(2-ethoxyphenyl)-3-[[1-(o-toly…

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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)	4.43	10.67	-47.62	3	5	1	55	382.528	7	↓ MOL2 SDF SMILES Flexibase

20889676

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxy-5-methyl-phenyl)-3-[[1-(o-tolylmethyl)-4-piperidyl]methyl]urea 1-(2-methoxy-5-methyl-phenyl)-3-…

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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)	4.48	10.54	-47.69	3	5	1	55	382.528	6	↓ MOL2 SDF SMILES Flexibase

20889688

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,4-dimethylphenyl)-1-[[1-(o-tolylmethyl)-4-piperidyl]methyl]urea 3-(3,4-dimethylphenyl)-1-[[1-(o-…

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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)	4.87	11.65	-49.5	3	4	1	46	366.529	5	↓ MOL2 SDF SMILES Flexibase

20889692

Analogs

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Popular Name: 3-(5-chloro-2-methoxy-phenyl)-1-[[1-(o-tolylmethyl)-4-piperidyl]methyl]urea 3-(5-chloro-2-methoxy-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)	4.71	10.39	-48.51	3	5	1	55	402.946	6	↓ MOL2 SDF SMILES Flexibase

20889696

Analogs

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Popular Name: 3-(3,4-dimethoxyphenyl)-1-[[1-(o-tolylmethyl)-4-piperidyl]methyl]urea 3-(3,4-dimethoxyphenyl)-1-[[1-(o…

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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	9.64	-53.38	3	6	1	64	398.527	7	↓ MOL2 SDF SMILES Flexibase

20889723

Analogs

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Popular Name: 1-(3,4-dimethylphenyl)-3-[[1-[(4-fluorophenyl)methyl]-4-piperidyl]methyl]urea 1-(3,4-dimethylphenyl)-3-[[1-[(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)	4.64	11.1	-56.42	3	4	1	46	370.492	5	↓ MOL2 SDF SMILES Flexibase

20889727

Analogs

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Popular Name: 1-(4-ethylphenyl)-3-[[1-[(4-fluorophenyl)methyl]-4-piperidyl]methyl]urea 1-(4-ethylphenyl)-3-[[1-[(4-fluo…

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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)	4.72	11.1	-55.98	3	4	1	46	370.492	6	↓ MOL2 SDF SMILES Flexibase

20889731

Analogs

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Popular Name: 1-(2,4-dimethylphenyl)-3-[[1-[(4-fluorophenyl)methyl]-4-piperidyl]methyl]urea 1-(2,4-dimethylphenyl)-3-[[1-[(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)	4.64	11.13	-56.35	3	4	1	46	370.492	5	↓ MOL2 SDF SMILES Flexibase

20889737

Analogs

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Popular Name: 1-(3-chloro-2-methyl-phenyl)-3-[[1-[(4-fluorophenyl)methyl]-4-piperidyl]methyl]urea 1-(3-chloro-2-methyl-phenyl)-3-[…

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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)	4.84	11.12	-55.88	3	4	1	46	390.91	5	↓ MOL2 SDF SMILES Flexibase

20889743

Analogs

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Popular Name: 1-(2,3-dimethylphenyl)-3-[[1-[(4-fluorophenyl)methyl]-4-piperidyl]methyl]urea 1-(2,3-dimethylphenyl)-3-[[1-[(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)	4.61	11.31	-56.63	3	4	1	46	370.492	5	↓ MOL2 SDF SMILES Flexibase

20889746

Analogs

16622373

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Popular Name: 1-(2,6-dimethylphenyl)-3-[[1-[(4-fluorophenyl)methyl]-4-piperidyl]methyl]urea 1-(2,6-dimethylphenyl)-3-[[1-[(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)	3.68	10.99	-55.31	3	4	1	46	370.492	5	↓ MOL2 SDF SMILES Flexibase

20889747

Analogs

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Popular Name: 3-[[1-[(4-fluorophenyl)methyl]-4-piperidyl]methyl]-1-(p-tolyl)urea 3-[[1-[(4-fluorophenyl)methyl]-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)	4.26	10.32	-56.23	3	4	1	46	356.465	5	↓ MOL2 SDF SMILES Flexibase

20889750

Analogs

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Popular Name: 3-(3-chloro-4-fluoro-phenyl)-1-[[1-[(4-fluorophenyl)methyl]-4-piperidyl]methyl]urea 3-(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)	4.58	10.26	-59.7	3	4	1	46	394.873	5	↓ MOL2 SDF SMILES Flexibase

20889754

Analogs

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Popular Name: 1-(2-ethylphenyl)-3-[[1-[(4-fluorophenyl)methyl]-4-piperidyl]methyl]urea 1-(2-ethylphenyl)-3-[[1-[(4-fluo…

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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)	4.68	11.33	-55.69	3	4	1	46	370.492	6	↓ MOL2 SDF SMILES Flexibase

20889758

Analogs

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Popular Name: 1-(4-ethoxyphenyl)-3-[[1-(m-tolylmethyl)-4-piperidyl]methyl]urea 1-(4-ethoxyphenyl)-3-[[1-(m-toly…

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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)	4.50	10.52	-52.17	3	5	1	55	382.528	7	↓ MOL2 SDF SMILES Flexibase

20889762

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-fluorophenyl)-1-[[1-(m-tolylmethyl)-4-piperidyl]methyl]urea 3-(4-fluorophenyl)-1-[[1-(m-toly…

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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)	4.24	10.35	-51.71	3	4	1	46	356.465	5	↓ MOL2 SDF SMILES Flexibase

20889766

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-chlorophenyl)-1-[[1-(m-tolylmethyl)-4-piperidyl]methyl]urea 3-(2-chlorophenyl)-1-[[1-(m-toly…

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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)	4.70	10.93	-47.25	3	4	1	46	372.92	5	↓ MOL2 SDF SMILES Flexibase

20889770

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,4-dimethylphenyl)-1-[[1-(m-tolylmethyl)-4-piperidyl]methyl]urea 3-(3,4-dimethylphenyl)-1-[[1-(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)	4.90	11.63	-50.7	3	4	1	46	366.529	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 75788
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 = 75788 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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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', {
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