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ZINC Item

Suppliers, Protomers, & Similar Substances

56790575

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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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)	4.81	10.61	-15.59	1	6	0	62	361.486	7	↓ MOL2 SDF SMILES Flexibase

58306835

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1S,3S)-1-(dimethylamino)-3-methyl-cyclohexyl]methyl]-3-(4-methyl-3-nitro-phenyl)urea 1-[[(1S,3S)-1-(dimethylamino)-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)	3.79	9.07	-42.84	3	7	1	91	349.455	5	↓ MOL2 SDF SMILES Flexibase

58306840

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1R,3S)-1-(dimethylamino)-3-methyl-cyclohexyl]methyl]-3-(4-methyl-3-nitro-phenyl)urea 1-[[(1R,3S)-1-(dimethylamino)-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)	3.79	8.81	-46.63	3	7	1	91	349.455	5	↓ MOL2 SDF SMILES Flexibase

58306841

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1S,3R)-1-(dimethylamino)-3-methyl-cyclohexyl]methyl]-3-(4-methyl-3-nitro-phenyl)urea 1-[[(1S,3R)-1-(dimethylamino)-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)	3.79	8.81	-46.56	3	7	1	91	349.455	5	↓ MOL2 SDF SMILES Flexibase

58306845

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1R,3R)-1-(dimethylamino)-3-methyl-cyclohexyl]methyl]-3-(4-methyl-3-nitro-phenyl)urea 1-[[(1R,3R)-1-(dimethylamino)-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)	3.79	9.99	-44.05	3	7	1	91	349.455	5	↓ MOL2 SDF SMILES Flexibase

58313795

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1R,3R)-1-(dimethylamino)-3-methyl-cyclohexyl]methyl]-3-(2-methoxyphenyl)urea 1-[[(1R,3R)-1-(dimethylamino)-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)	3.47	8.13	-38.92	3	5	1	55	320.457	5	↓ MOL2 SDF SMILES Flexibase

58313808

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1R,3S)-1-(dimethylamino)-3-methyl-cyclohexyl]methyl]-3-(2-methoxyphenyl)urea 1-[[(1R,3S)-1-(dimethylamino)-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)	3.47	6.86	-41.76	3	5	1	55	320.457	5	↓ MOL2 SDF SMILES Flexibase

58313809

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1S,3R)-1-(dimethylamino)-3-methyl-cyclohexyl]methyl]-3-(2-methoxyphenyl)urea 1-[[(1S,3R)-1-(dimethylamino)-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)	3.47	6.85	-41.75	3	5	1	55	320.457	5	↓ MOL2 SDF SMILES Flexibase

58313812

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1S,3S)-1-(dimethylamino)-3-methyl-cyclohexyl]methyl]-3-(2-methoxyphenyl)urea 1-[[(1S,3S)-1-(dimethylamino)-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)	3.47	7.23	-37.9	3	5	1	55	320.457	5	↓ MOL2 SDF SMILES Flexibase

58330749

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1R,3R)-1-(dimethylamino)-3-methyl-cyclohexyl]methyl]-3-(3-methylsulfanylphenyl)urea 1-[[(1R,3R)-1-(dimethylamino)-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)	3.87	9.68	-43.17	3	4	1	46	336.525	5	↓ MOL2 SDF SMILES Flexibase

58330751

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1R,3S)-1-(dimethylamino)-3-methyl-cyclohexyl]methyl]-3-(3-methylsulfanylphenyl)urea 1-[[(1R,3S)-1-(dimethylamino)-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)	3.87	8.48	-46.29	3	4	1	46	336.525	5	↓ MOL2 SDF SMILES Flexibase

58330753

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1S,3R)-1-(dimethylamino)-3-methyl-cyclohexyl]methyl]-3-(3-methylsulfanylphenyl)urea 1-[[(1S,3R)-1-(dimethylamino)-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)	3.87	8.48	-46.26	3	4	1	46	336.525	5	↓ MOL2 SDF SMILES Flexibase

58330754

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1S,3S)-1-(dimethylamino)-3-methyl-cyclohexyl]methyl]-3-(3-methylsulfanylphenyl)urea 1-[[(1S,3S)-1-(dimethylamino)-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)	3.87	8.84	-40.35	3	4	1	46	336.525	5	↓ MOL2 SDF SMILES Flexibase

58342577

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-acetylphenyl)-3-[(1-hydroxycyclohexyl)methyl]urea 1-(3-acetylphenyl)-3-[(1-hydroxy…

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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)	2.66	3.93	-18.54	3	5	0	78	290.363	4	↓ MOL2 SDF SMILES Flexibase

52343917

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-aminophenyl)-3-[(1S)-1-cyclohexylethyl]urea 1-(3-aminophenyl)-3-[(1S)-1-cycl…

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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	4.68	-8.65	4	4	0	67	261.369	3	↓ MOL2 SDF SMILES Flexibase

52343919

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-aminophenyl)-3-[(1R)-1-cyclohexylethyl]urea 1-(3-aminophenyl)-3-[(1R)-1-cycl…

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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	4.93	-8.96	4	4	0	67	261.369	3	↓ MOL2 SDF SMILES Flexibase

52343921

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-aminophenyl)-3-[(1S)-1-cyclohexylethyl]urea 1-(4-aminophenyl)-3-[(1S)-1-cycl…

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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)	3.14	4.67	-8.91	4	4	0	67	261.369	3	↓ MOL2 SDF SMILES Flexibase

52343923

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-aminophenyl)-3-[(1R)-1-cyclohexylethyl]urea 1-(4-aminophenyl)-3-[(1R)-1-cycl…

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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)	3.14	4.96	-9.12	4	4	0	67	261.369	3	↓ MOL2 SDF SMILES Flexibase

52343925

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-aminophenyl)-3-[(1S)-1-cyclohexylpropyl]urea 1-(3-aminophenyl)-3-[(1S)-1-cycl…

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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)	3.65	5.34	-8.43	4	4	0	67	275.396	4	↓ MOL2 SDF SMILES Flexibase

52343927

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-aminophenyl)-3-[(1R)-1-cyclohexylpropyl]urea 1-(3-aminophenyl)-3-[(1R)-1-cycl…

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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)	3.65	5.42	-7.89	4	4	0	67	275.396	4	↓ MOL2 SDF SMILES Flexibase

52343929

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-aminophenyl)-3-[(1S)-1-cyclohexylpropyl]urea 1-(4-aminophenyl)-3-[(1S)-1-cycl…

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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	5.32	-8.3	4	4	0	67	275.396	4	↓ MOL2 SDF SMILES Flexibase

52343931

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-aminophenyl)-3-[(1R)-1-cyclohexylpropyl]urea 1-(4-aminophenyl)-3-[(1R)-1-cycl…

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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	5.41	-8	4	4	0	67	275.396	4	↓ MOL2 SDF SMILES Flexibase

52344085

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(aminomethyl)phenyl]-3-[(1S)-1-cyclohexylethyl]urea 1-[4-(aminomethyl)phenyl]-3-[(1S…

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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	4.84	-48.48	5	4	1	69	276.404	4	↓ MOL2 SDF SMILES Flexibase

52344086

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(aminomethyl)phenyl]-3-[(1R)-1-cyclohexylethyl]urea 1-[4-(aminomethyl)phenyl]-3-[(1R…

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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	5.13	-48.49	5	4	1	69	276.404	4	↓ MOL2 SDF SMILES Flexibase

52344087

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(aminomethyl)phenyl]-3-[(1S)-1-cyclohexylethyl]urea 1-[3-(aminomethyl)phenyl]-3-[(1S…

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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)	3.22	4.84	-53.83	5	4	1	69	276.404	4	↓ MOL2 SDF SMILES Flexibase

52344088

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(aminomethyl)phenyl]-3-[(1R)-1-cyclohexylethyl]urea 1-[3-(aminomethyl)phenyl]-3-[(1R…

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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)	3.22	5.13	-54	5	4	1	69	276.404	4	↓ MOL2 SDF SMILES Flexibase

52344089

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(aminomethyl)phenyl]-3-[(1S)-1-cyclohexylpropyl]urea 1-[4-(aminomethyl)phenyl]-3-[(1S…

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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	5.49	-48.4	5	4	1	69	290.431	5	↓ MOL2 SDF SMILES Flexibase

52344090

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(aminomethyl)phenyl]-3-[(1R)-1-cyclohexylpropyl]urea 1-[4-(aminomethyl)phenyl]-3-[(1R…

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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	5.58	-48.23	5	4	1	69	290.431	5	↓ MOL2 SDF SMILES Flexibase

52344091

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(aminomethyl)phenyl]-3-[(1S)-1-cyclohexylpropyl]urea 1-[3-(aminomethyl)phenyl]-3-[(1S…

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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)	3.76	5.49	-52.76	5	4	1	69	290.431	5	↓ MOL2 SDF SMILES Flexibase

52344092

Analogs

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Popular Name: 1-[3-(aminomethyl)phenyl]-3-[(1R)-1-cyclohexylpropyl]urea 1-[3-(aminomethyl)phenyl]-3-[(1R…

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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)	3.76	5.58	-42.95	5	4	1	69	290.431	5	↓ MOL2 SDF SMILES Flexibase

52344167

Analogs

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Popular Name: 3-[[(1S)-1-cyclohexylethyl]carbamoylamino]benzoic 3-[[(1S)-1-cyclohexylethyl]carba…

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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	7.36	-63.96	2	5	-1	81	289.355	4	↓ MOL2 SDF SMILES Flexibase

52344168

Analogs

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Popular Name: 3-[[(1R)-1-cyclohexylethyl]carbamoylamino]benzoic 3-[[(1R)-1-cyclohexylethyl]carba…

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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	7.65	-64.53	2	5	-1	81	289.355	4	↓ MOL2 SDF SMILES Flexibase

52344199

Analogs

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Popular Name: 2-[[(1S)-1-cyclohexylethyl]carbamoylamino]benzoic 2-[[(1S)-1-cyclohexylethyl]carba…

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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)	4.11	7.74	-46.34	2	5	-1	81	289.355	4	↓ MOL2 SDF SMILES Flexibase

52344200

Analogs

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Popular Name: 2-[[(1R)-1-cyclohexylethyl]carbamoylamino]benzoic 2-[[(1R)-1-cyclohexylethyl]carba…

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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)	4.11	7.94	-46.02	2	5	-1	81	289.355	4	↓ MOL2 SDF SMILES Flexibase

52344201

Analogs

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Popular Name: 4-[[(1S)-1-cyclohexylethyl]carbamoylamino]benzoic 4-[[(1S)-1-cyclohexylethyl]carba…

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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	7.34	-54.29	2	5	-1	81	289.355	4	↓ MOL2 SDF SMILES Flexibase

52344202

Analogs

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Popular Name: 4-[[(1R)-1-cyclohexylethyl]carbamoylamino]benzoic 4-[[(1R)-1-cyclohexylethyl]carba…

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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	7.63	-54.83	2	5	-1	81	289.355	4	↓ MOL2 SDF SMILES Flexibase

52344773

Analogs

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Popular Name: 1-(3-acetylphenyl)-3-[(1S)-1-cyclohexylethyl]urea 1-(3-acetylphenyl)-3-[(1S)-1-cyc…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.94	7.2	-17.19	2	4	0	58	288.391	4	↓ MOL2 SDF SMILES Flexibase

52344774

Analogs

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Popular Name: 1-(3-acetylphenyl)-3-[(1R)-1-cyclohexylethyl]urea 1-(3-acetylphenyl)-3-[(1R)-1-cyc…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.94	7.49	-17.41	2	4	0	58	288.391	4	↓ MOL2 SDF SMILES Flexibase

52344775

Analogs

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Popular Name: 1-(4-acetylphenyl)-3-[(1S)-1-cyclohexylethyl]urea 1-(4-acetylphenyl)-3-[(1S)-1-cyc…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.96	7.21	-10.3	2	4	0	58	288.391	4	↓ MOL2 SDF SMILES Flexibase

52344776

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-acetylphenyl)-3-[(1R)-1-cyclohexylethyl]urea 1-(4-acetylphenyl)-3-[(1R)-1-cyc…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.96	7.5	-10.58	2	4	0	58	288.391	4	↓ MOL2 SDF SMILES Flexibase

52344777

Analogs

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Popular Name: 1-[(1S)-1-cyclohexylethyl]-3-[3-[(1S)-1-hydroxyethyl]phenyl]urea 1-[(1S)-1-cyclohexylethyl]-3-[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)	3.60	5.05	-9.53	3	4	0	61	290.407	4	↓ MOL2 SDF SMILES Flexibase

52344778

Analogs

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Popular Name: 1-[(1S)-1-cyclohexylethyl]-3-[3-[(1R)-1-hydroxyethyl]phenyl]urea 1-[(1S)-1-cyclohexylethyl]-3-[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)	3.60	5.01	-10.37	3	4	0	61	290.407	4	↓ MOL2 SDF SMILES Flexibase

52344779

Analogs

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Popular Name: 1-[(1R)-1-cyclohexylethyl]-3-[3-[(1S)-1-hydroxyethyl]phenyl]urea 1-[(1R)-1-cyclohexylethyl]-3-[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)	3.60	5.34	-9.81	3	4	0	61	290.407	4	↓ MOL2 SDF SMILES Flexibase

52344780

Analogs

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Popular Name: 1-[(1R)-1-cyclohexylethyl]-3-[3-[(1R)-1-hydroxyethyl]phenyl]urea 1-[(1R)-1-cyclohexylethyl]-3-[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)	3.60	5.3	-10.65	3	4	0	61	290.407	4	↓ MOL2 SDF SMILES Flexibase

52344781

Analogs

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Popular Name: 1-[(1S)-1-cyclohexylethyl]-3-[4-[(1S)-1-hydroxyethyl]phenyl]urea 1-[(1S)-1-cyclohexylethyl]-3-[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)	3.63	5.05	-9.54	3	4	0	61	290.407	4	↓ MOL2 SDF SMILES Flexibase

52344782

Analogs

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Popular Name: 1-[(1S)-1-cyclohexylethyl]-3-[4-[(1R)-1-hydroxyethyl]phenyl]urea 1-[(1S)-1-cyclohexylethyl]-3-[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)	3.63	5	-9.15	3	4	0	61	290.407	4	↓ MOL2 SDF SMILES Flexibase

52344783

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-cyclohexylethyl]-3-[4-[(1S)-1-hydroxyethyl]phenyl]urea 1-[(1R)-1-cyclohexylethyl]-3-[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)	3.63	5.06	-9.15	3	4	0	61	290.407	4	↓ MOL2 SDF SMILES Flexibase

52344784

Analogs

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Popular Name: 1-[(1R)-1-cyclohexylethyl]-3-[4-[(1R)-1-hydroxyethyl]phenyl]urea 1-[(1R)-1-cyclohexylethyl]-3-[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)	3.63	5.33	-9.62	3	4	0	61	290.407	4	↓ MOL2 SDF SMILES Flexibase

52344785

Analogs

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Popular Name: 1-[3-[(1S)-1-aminoethyl]phenyl]-3-[(1S)-1-cyclohexylethyl]urea 1-[3-[(1S)-1-aminoethyl]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)	1.90	5.82	-45.06	5	4	1	69	290.431	4	↓ MOL2 SDF SMILES Flexibase

52344786

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[(1R)-1-aminoethyl]phenyl]-3-[(1S)-1-cyclohexylethyl]urea 1-[3-[(1R)-1-aminoethyl]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)	1.90	5.53	-43.42	5	4	1	69	290.431	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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Embed Link to Results

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<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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