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ZINC Item

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53495968

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-chlorophenyl)methyl]-3-[(1S)-1-(3-fluoro-4-methoxy-phenyl)ethyl]urea 1-[(3-chlorophenyl)methyl]-3-[(1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.91	6.73	-11.61	2	4	0	50	336.794	5	↓ MOL2 SDF SMILES Flexibase

53495970

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-chlorophenyl)methyl]-3-[(1R)-1-(3-fluoro-4-methoxy-phenyl)ethyl]urea 1-[(3-chlorophenyl)methyl]-3-[(1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.91	6.74	-11.9	2	4	0	50	336.794	5	↓ MOL2 SDF SMILES Flexibase

53501799

Analogs

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Popular Name: 1-[(2-fluorophenyl)methyl]-1-methyl-3-(p-tolylmethyl)urea 1-[(2-fluorophenyl)methyl]-1-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)	3.91	8.96	-7.14	1	3	0	32	286.35	4	↓ MOL2 SDF SMILES Flexibase

53502169

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-fluorophenyl)methyl]-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea 1-[(4-fluorophenyl)methyl]-1-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)	4.38	9.49	-10.11	1	3	0	32	340.32	5	↓ MOL2 SDF SMILES Flexibase

53502771

Analogs

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Popular Name: 1-benzyl-1-methyl-3-[(4-sulfamoylphenyl)methyl]urea 1-benzyl-1-methyl-3-[(4-sulfamoy…

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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)	2.04	3.37	-16.81	3	6	0	93	333.413	5	↓ MOL2 SDF SMILES Flexibase

53502902

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(2-chlorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea 1-[(1S)-1-(2-chlorophenyl)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)	2.43	2.29	-17.44	4	6	0	101	367.858	5	↓ MOL2 SDF SMILES Flexibase

53502905

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(2-chlorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea 1-[(1R)-1-(2-chlorophenyl)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)	2.43	2.26	-17.36	4	6	0	101	367.858	5	↓ MOL2 SDF SMILES Flexibase

53502920

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-chlorophenyl)methyl]-1-methyl-3-[(4-sulfamoylphenyl)methyl]urea 1-[(3-chlorophenyl)methyl]-1-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)	2.69	3.88	-18.23	3	6	0	93	367.858	5	↓ MOL2 SDF SMILES Flexibase

53503024

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-chlorophenyl)methyl]-1-methyl-3-[(4-sulfamoylphenyl)methyl]urea 1-[(4-chlorophenyl)methyl]-1-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)	2.71	3.89	-16.71	3	6	0	93	367.858	5	↓ MOL2 SDF SMILES Flexibase

53503027

Analogs

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Popular Name: 1-[(2-chlorophenyl)methyl]-1-methyl-3-[(4-sulfamoylphenyl)methyl]urea 1-[(2-chlorophenyl)methyl]-1-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)	2.67	4.36	-16.58	3	6	0	93	367.858	5	↓ MOL2 SDF SMILES Flexibase

53503171

Analogs

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Popular Name: 1-[(1R)-1-(o-tolyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea 1-[(1R)-1-(o-tolyl)ethyl]-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)	2.20	2.31	-15.53	4	6	0	101	347.44	5	↓ MOL2 SDF SMILES Flexibase

53503174

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(o-tolyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea 1-[(1S)-1-(o-tolyl)ethyl]-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)	2.20	2.4	-15.52	4	6	0	101	347.44	5	↓ MOL2 SDF SMILES Flexibase

62473554

Analogs

42812817
42812822

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3,4-difluorophenyl)methyl]-1-(2-dimethylaminoethyl)-3-[(1R)-1-phenylethyl]urea 1-[(3,4-difluorophenyl)methyl]-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)	4.19	11.65	-53.53	2	4	1	37	362.444	7	↓ MOL2 SDF SMILES Flexibase

62478368

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2,4-difluorophenyl)methyl]-1-(2-dimethylaminoethyl)-3-[(3-fluorophenyl)methyl]urea 1-[(2,4-difluorophenyl)methyl]-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.77	10.86	-55.05	2	4	1	37	366.407	7	↓ MOL2 SDF SMILES Flexibase

62478676

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2,4-difluorophenyl)methyl]-1-(2-dimethylaminoethyl)-3-(m-tolylmethyl)urea 1-[(2,4-difluorophenyl)methyl]-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)	4.05	11.31	-43.19	2	4	1	37	362.444	7	↓ MOL2 SDF SMILES Flexibase

62484872

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-dimethylaminoethyl)-3-[(3-ethoxyphenyl)methyl]-1-[(3-fluorophenyl)methyl]urea 1-(2-dimethylaminoethyl)-3-[(3-e…

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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	10.98	-47.45	2	5	1	46	374.48	9	↓ MOL2 SDF SMILES Flexibase

62484874

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2,4-difluorophenyl)methyl]-1-(2-dimethylaminoethyl)-3-[(3-ethoxyphenyl)methyl]urea 1-[(2,4-difluorophenyl)methyl]-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)	4.04	10.86	-43.26	2	5	1	46	392.47	9	↓ MOL2 SDF SMILES Flexibase

62485374

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-1-prop-2-ynyl-urea 3-[(3-ethoxyphenyl)methyl]-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)	4.07	10.22	-10.55	1	4	0	42	340.398	7	↓ MOL2 SDF SMILES Flexibase

62485505

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-dimethylaminoethyl)-1-[(3-fluorophenyl)methyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea 1-(2-dimethylaminoethyl)-1-[(3-f…

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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	10.49	-53.83	2	5	1	46	374.48	9	↓ MOL2 SDF SMILES Flexibase

62485507

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2,4-difluorophenyl)methyl]-1-(2-dimethylaminoethyl)-3-[[4-(methoxymethyl)phenyl]methyl]urea 1-[(2,4-difluorophenyl)methyl]-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.58	10.53	-54.61	2	5	1	46	392.47	9	↓ MOL2 SDF SMILES Flexibase

62485518

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-chlorophenyl)methyl]-1-(2-dimethylaminoethyl)-3-[[3-(methoxymethyl)phenyl]methyl]urea 1-[(3-chlorophenyl)methyl]-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)	3.96	10.93	-51.31	2	5	1	46	390.935	9	↓ MOL2 SDF SMILES Flexibase

62485521

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3,4-difluorophenyl)methyl]-1-(2-dimethylaminoethyl)-3-[[3-(methoxymethyl)phenyl]methyl]urea 1-[(3,4-difluorophenyl)methyl]-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.56	10.54	-56.59	2	5	1	46	392.47	9	↓ MOL2 SDF SMILES Flexibase

62485524

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-fluorophenyl)methyl]-3-[[3-(methoxymethyl)phenyl]methyl]-1-prop-2-ynyl-urea 1-[(4-fluorophenyl)methyl]-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	9.71	-10.2	1	4	0	42	340.398	7	↓ MOL2 SDF SMILES Flexibase

62489131

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2,3-dimethoxyphenyl)methyl]-1-(2-dimethylaminoethyl)-1-[(3-fluorophenyl)methyl]urea 3-[(2,3-dimethoxyphenyl)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)	3.33	10	-52.5	2	6	1	55	390.479	9	↓ MOL2 SDF SMILES Flexibase

13009494

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea 1-[(2-chloro-6-fluoro-phenyl)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)	4.96	9.63	-10.3	1	3	0	32	374.765	5	↓ MOL2 SDF SMILES Flexibase

13010174

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)	3.59	7.65	-11.9	2	5	0	67	366.339	7	↓ MOL2 SDF SMILES Flexibase

13010374

Analogs

25235611
26534040

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Popular Name: 1-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-[[2-(trifluoromethoxy)phenyl]methyl]urea 1-[[4-(difluoromethoxy)phenyl]me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.88	7.81	-11.77	1	5	0	51	404.335	8	↓ MOL2 SDF SMILES Flexibase

62502679

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[[[(4-fluorophenyl)methyl-prop-2-ynyl-carbamoyl]amino]methyl]phenyl]-3-methyl-butanamide N-[3-[[[(4-fluorophenyl)methyl-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)	4.47	11.06	-14.2	2	5	0	61	395.478	8	↓ MOL2 SDF SMILES Flexibase

24986620

Analogs

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Popular Name: 3-[(2-fluorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]urea 3-[(2-fluorophenyl)methyl]-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)	2.67	5.37	-12.27	2	4	0	50	288.322	5	↓ MOL2 SDF SMILES Flexibase

24988178

Analogs

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Popular Name: 3-[(3-fluoro-4-methyl-phenyl)methyl]-1-methyl-1-[(2,3,4-trimethoxyphenyl)methyl]urea 3-[(3-fluoro-4-methyl-phenyl)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)	3.71	8.14	-12.75	1	6	0	60	376.428	7	↓ MOL2 SDF SMILES Flexibase

26145113

Analogs

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Popular Name: 1-[[2-(methoxymethyl)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea 1-[[2-(methoxymethyl)phenyl]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)	2.48	5.15	-10.98	2	5	0	60	314.385	7	↓ MOL2 SDF SMILES Flexibase

26145139

Analogs

46891890

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Popular Name: 1-[[2-(methoxymethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea 1-[[2-(methoxymethyl)phenyl]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)	3.32	6.83	-10.76	2	4	0	50	352.356	7	↓ MOL2 SDF SMILES Flexibase

68872008

Analogs

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Popular Name: 1-allyl-1-[(3-nitrophenyl)methyl]-3-[(1S)-1-(o-tolyl)ethyl]urea 1-allyl-1-[(3-nitrophenyl)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)	4.88	12.09	-9.01	1	6	0	78	353.422	7	↓ MOL2 SDF SMILES Flexibase

56811146

Analogs

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Popular Name: 1-(2-dimethylaminoethyl)-3-[(1S)-1-(3-fluoro-4-methoxy-phenyl)ethyl]-1-[(4-fluorophenyl)methyl]urea 1-(2-dimethylaminoethyl)-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)	4.24	10.96	-64.33	2	5	1	46	392.47	8	↓ MOL2 SDF SMILES Flexibase

56811147

Analogs

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Popular Name: 1-(2-dimethylaminoethyl)-3-[(1R)-1-(3-fluoro-4-methoxy-phenyl)ethyl]-1-[(4-fluorophenyl)methyl]urea 1-(2-dimethylaminoethyl)-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)	4.24	10.97	-61.53	2	5	1	46	392.47	8	↓ MOL2 SDF SMILES Flexibase

56833557

Analogs

26518082

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Popular Name: 1-allyl-3-[(3-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]urea 1-allyl-3-[(3-fluorophenyl)methy…

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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)	4.18	9.33	-9.64	1	4	0	42	328.387	7	↓ MOL2 SDF SMILES Flexibase

56833680

Analogs

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Popular Name: 1-allyl-1-[(2-fluorophenyl)methyl]-3-[(3-fluorophenyl)methyl]urea 1-allyl-1-[(2-fluorophenyl)methy…

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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	10.05	-11.69	1	3	0	32	316.351	6	↓ MOL2 SDF SMILES Flexibase

56833937

Analogs

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Popular Name: N-[3-[[[allyl-[(2-fluorophenyl)methyl]carbamoyl]amino]methyl]phenyl]acetamide N-[3-[[[allyl-[(2-fluorophenyl)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)	3.30	8.73	-13.48	2	5	0	61	355.413	7	↓ MOL2 SDF SMILES Flexibase

56844660

Analogs

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Popular Name: 1-allyl-1-[(4-methoxyphenyl)methyl]-3-(m-tolylmethyl)urea 1-allyl-1-[(4-methoxyphenyl)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)	4.47	9.91	-9.85	1	4	0	42	324.424	7	↓ MOL2 SDF SMILES Flexibase

56848962

Analogs

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Popular Name: 3-[(4-cyanophenyl)methyl]-1-(2-dimethylaminoethyl)-1-[(4-fluorophenyl)methyl]urea 3-[(4-cyanophenyl)methyl]-1-(2-d…

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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)	3.29	11.17	-57.51	2	5	1	61	355.437	7	↓ MOL2 SDF SMILES Flexibase

56850400

Analogs

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Popular Name: 1-allyl-3-[[4-(methoxymethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]urea 1-allyl-3-[[4-(methoxymethyl)phe…

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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)	4.00	8.98	-10.71	1	5	0	51	354.45	9	↓ MOL2 SDF SMILES Flexibase

56850421

Analogs

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Popular Name: 1-(2-dimethylaminoethyl)-1-[(4-fluorophenyl)methyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea 1-(2-dimethylaminoethyl)-1-[(4-f…

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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	10.5	-51.55	2	5	1	46	374.48	9	↓ MOL2 SDF SMILES Flexibase

56850713

Analogs

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Popular Name: 1-allyl-3-[[3-(methoxymethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]urea 1-allyl-3-[[3-(methoxymethyl)phe…

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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)	3.97	8.97	-10.79	1	5	0	51	354.45	9	↓ MOL2 SDF SMILES Flexibase

56850735

Analogs

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Popular Name: 1-(2-dimethylaminoethyl)-1-[(4-fluorophenyl)methyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea 1-(2-dimethylaminoethyl)-1-[(4-f…

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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	10.49	-50.76	2	5	1	46	374.48	9	↓ MOL2 SDF SMILES Flexibase

56850802

Analogs

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Popular Name: 1-allyl-3-[[4-(ethoxymethyl)phenyl]methyl]-1-[(2-fluorophenyl)methyl]urea 1-allyl-3-[[4-(ethoxymethyl)phen…

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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	10.53	-7.47	1	4	0	42	356.441	9	↓ MOL2 SDF SMILES Flexibase

56850948

Analogs

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Popular Name: 1-allyl-3-[[2-(ethoxymethyl)phenyl]methyl]-1-[(2-fluorophenyl)methyl]urea 1-allyl-3-[[2-(ethoxymethyl)phen…

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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)	4.38	10.67	-6.83	1	4	0	42	356.441	9	↓ MOL2 SDF SMILES Flexibase

56866348

Analogs

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Popular Name: 3-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]-1-(2-dimethylaminoethyl)-1-[(4-fluorophenyl)methyl]urea 3-[(1S)-1-[4-(difluoromethoxy)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)	4.71	11.2	-60.72	2	5	1	46	410.46	9	↓ MOL2 SDF SMILES Flexibase

56866349

Analogs

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Popular Name: 3-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-1-(2-dimethylaminoethyl)-1-[(4-fluorophenyl)methyl]urea 3-[(1R)-1-[4-(difluoromethoxy)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)	4.71	11.19	-58.36	2	5	1	46	410.46	9	↓ MOL2 SDF SMILES Flexibase

56866490

Analogs

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Popular Name: 1-allyl-3-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-1-[(4-methoxyphenyl)methyl]urea 1-allyl-3-[(1S)-1-[3-(difluorome…

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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)	5.19	9.67	-13.06	1	5	0	51	390.43	9	↓ MOL2 SDF SMILES Flexibase

56866491

Analogs

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Popular Name: 1-allyl-3-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-1-[(4-methoxyphenyl)methyl]urea 1-allyl-3-[(1R)-1-[3-(difluorome…

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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)	5.19	9.66	-13.06	1	5	0	51	390.43	9	↓ 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 = 9704 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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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">
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