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ZINC Item

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747596

Analogs

35723056

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(4-methylpiperidino)-3-(piperidine-1-carbonyl)phenyl]-3-phenyl-urea 1-[4-(4-methylpiperidino)-3-(pip…

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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	9.85	-21.77	2	6	0	65	420.557	4	↓ MOL2 SDF SMILES Flexibase

747598

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-fluorophenyl)-3-[4-(4-methylpiperidino)-3-(piperidine-1-carbonyl)phenyl]urea 1-(2-fluorophenyl)-3-[4-(4-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)	4.31	11.34	-13.4	2	6	0	65	438.547	4	↓ MOL2 SDF SMILES Flexibase

747599

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-fluorophenyl)-3-[4-(4-methylpiperidino)-3-(piperidine-1-carbonyl)phenyl]urea 1-(3-fluorophenyl)-3-[4-(4-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)	4.34	9.96	-19.63	2	6	0	65	438.547	4	↓ MOL2 SDF SMILES Flexibase

747601

Analogs

35722917
35723073

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-difluorophenyl)-3-[4-(4-methylpiperidino)-3-(piperidine-1-carbonyl)phenyl]urea 1-(2,4-difluorophenyl)-3-[4-(4-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)	4.45	10.09	-13.78	2	6	0	65	456.537	4	↓ MOL2 SDF SMILES Flexibase

747602

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-dimethoxyphenyl)-3-[4-(4-methylpiperidino)-3-(piperidine-1-carbonyl)phenyl]urea 1-(2,4-dimethoxyphenyl)-3-[4-(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)	4.24	8.65	-16.08	2	8	0	83	480.609	6	↓ MOL2 SDF SMILES Flexibase

747603

Analogs

35722923
35723080

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-ethylphenyl)-3-[4-(4-methylpiperidino)-3-(piperidine-1-carbonyl)phenyl]urea 1-(4-ethylphenyl)-3-[4-(4-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)	5.11	11.33	-16.45	2	6	0	65	448.611	5	↓ MOL2 SDF SMILES Flexibase

747604

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-methoxyphenyl)-3-[4-(4-methylpiperidino)-3-(piperidine-1-carbonyl)phenyl]urea 1-(3-methoxyphenyl)-3-[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)	4.23	9.21	-19.8	2	7	0	74	450.583	5	↓ MOL2 SDF SMILES Flexibase

747605

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-methoxyphenyl)-3-[4-(4-methylpiperidino)-3-(piperidine-1-carbonyl)phenyl]urea 1-(4-methoxyphenyl)-3-[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)	4.25	9.2	-17.65	2	7	0	74	450.583	5	↓ MOL2 SDF SMILES Flexibase

747606

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(4-methylpiperidino)-3-(piperidine-1-carbonyl)phenyl]-3-(o-tolyl)urea 1-[4-(4-methylpiperidino)-3-(pip…

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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)	4.60	10.7	-18.48	2	6	0	65	434.584	4	↓ MOL2 SDF SMILES Flexibase

747607

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-dimethylphenyl)-3-[4-(4-methylpiperidino)-3-(piperidine-1-carbonyl)phenyl]urea 1-(2,4-dimethylphenyl)-3-[4-(4-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)	5.02	11.36	-16.62	2	6	0	65	448.611	4	↓ MOL2 SDF SMILES Flexibase

747608

Analogs

35722930

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-difluorophenyl)-3-[4-(4-methylpiperidino)-3-(piperidine-1-carbonyl)phenyl]urea 1-(3,4-difluorophenyl)-3-[4-(4-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)	4.45	11.36	-19.3	2	6	0	65	456.537	4	↓ MOL2 SDF SMILES Flexibase

747610

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dimethylphenyl)-3-[4-(4-methylpiperidino)-3-(piperidine-1-carbonyl)phenyl]urea 1-(3,4-dimethylphenyl)-3-[4-(4-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)	5.02	11.17	-16.72	2	6	0	65	448.611	4	↓ MOL2 SDF SMILES Flexibase

747611

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,3-dimethylphenyl)-3-[4-(4-methylpiperidino)-3-(piperidine-1-carbonyl)phenyl]urea 1-(2,3-dimethylphenyl)-3-[4-(4-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)	5.00	11.38	-18.7	2	6	0	65	448.611	4	↓ MOL2 SDF SMILES Flexibase

747612

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(4-methylpiperidino)-3-(piperidine-1-carbonyl)phenyl]-3-o-phenetyl-urea 1-[4-(4-methylpiperidino)-3-(pip…

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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	10.24	-16.8	2	7	0	74	464.61	6	↓ MOL2 SDF SMILES Flexibase

750912

Analogs

35723056

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]-3-phenyl-urea 1-[3-(4-methylpiperidine-1-carbo…

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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	10.48	-19.25	2	6	0	65	420.557	4	↓ MOL2 SDF SMILES Flexibase

750913

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]-3-[3-(trifluoromethyl)phenyl]urea 1-[3-(4-methylpiperidine-1-carbo…

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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)	5.07	11.22	-16.2	2	6	0	65	488.554	5	↓ MOL2 SDF SMILES Flexibase

750916

Analogs

35723056

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]-3-(m-tolyl)urea 1-[3-(4-methylpiperidine-1-carbo…

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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)	4.62	10.87	-16.78	2	6	0	65	434.584	4	↓ MOL2 SDF SMILES Flexibase

750919

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]carbamoylamino]benzoic-acid-ethyl-ester 4-[[3-(4-methylpiperidine-1-carb…

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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	12.04	-22.35	2	8	0	91	492.62	7	↓ MOL2 SDF SMILES Flexibase

750921

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-fluorophenyl)-3-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]urea 1-(2-fluorophenyl)-3-[3-(4-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)	4.31	10.59	-15.53	2	6	0	65	438.547	4	↓ MOL2 SDF SMILES Flexibase

750925

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-fluorophenyl)-3-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]urea 1-(3-fluorophenyl)-3-[3-(4-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)	4.34	10.26	-19.85	2	6	0	65	438.547	4	↓ MOL2 SDF SMILES Flexibase

750926

Analogs

35723067

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-bromophenyl)-3-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]urea 1-(2-bromophenyl)-3-[3-(4-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)	4.96	11.25	-14.71	2	6	0	65	499.453	4	↓ MOL2 SDF SMILES Flexibase

750928

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-cyanophenyl)-3-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]urea 1-(3-cyanophenyl)-3-[3-(4-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)	3.93	10.58	-22.87	2	7	0	88	445.567	4	↓ MOL2 SDF SMILES Flexibase

750931

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-dimethoxyphenyl)-3-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]urea 1-(2,4-dimethoxyphenyl)-3-[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)	4.24	8.94	-16.46	2	8	0	83	480.609	6	↓ MOL2 SDF SMILES Flexibase

750933

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,6-dimethylphenyl)-3-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]urea 1-(2,6-dimethylphenyl)-3-[3-(4-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)	4.06	11.69	-14.61	2	6	0	65	448.611	4	↓ MOL2 SDF SMILES Flexibase

750937

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]-3-p-cumenyl-urea 1-[3-(4-methylpiperidine-1-carbo…

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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)	5.71	12.42	-18.96	2	6	0	65	462.638	5	↓ MOL2 SDF SMILES Flexibase

750940

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxyphenyl)-3-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]urea 1-(2-methoxyphenyl)-3-[3-(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)	4.21	9.95	-17.5	2	7	0	74	450.583	5	↓ MOL2 SDF SMILES Flexibase

750944

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-methoxyphenyl)-3-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]urea 1-(3-methoxyphenyl)-3-[3-(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)	4.23	9.53	-20.15	2	7	0	74	450.583	5	↓ MOL2 SDF SMILES Flexibase

750946

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-methoxyphenyl)-3-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]urea 1-(4-methoxyphenyl)-3-[3-(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)	4.25	9.51	-17.98	2	7	0	74	450.583	5	↓ MOL2 SDF SMILES Flexibase

750948

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]-3-(o-tolyl)urea 1-[3-(4-methylpiperidine-1-carbo…

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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)	4.60	11.32	-19.09	2	6	0	65	434.584	4	↓ MOL2 SDF SMILES Flexibase

750952

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]-3-[4-(trifluoromethyl)phenyl]urea 1-[3-(4-methylpiperidine-1-carbo…

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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)	5.09	11.22	-18.01	2	6	0	65	488.554	5	↓ MOL2 SDF SMILES Flexibase

750953

Analogs

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Popular Name: 1-(2,4-dimethylphenyl)-3-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]urea 1-(2,4-dimethylphenyl)-3-[3-(4-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)	5.02	-2.16	-13.31	2	6	0	64	448.611	4	↓ MOL2 SDF SMILES Flexibase

750958

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,3-dimethylphenyl)-3-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]urea 1-(2,3-dimethylphenyl)-3-[3-(4-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)	5.00	12.01	-19.19	2	6	0	65	448.611	4	↓ MOL2 SDF SMILES Flexibase

750960

Analogs

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Popular Name: 1-(3-chloro-4-fluoro-phenyl)-3-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]urea 1-(3-chloro-4-fluoro-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)	4.97	10.77	-17.1	2	6	0	65	472.992	4	↓ MOL2 SDF SMILES Flexibase

750962

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,5-dimethoxyphenyl)-3-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]urea 1-(3,5-dimethoxyphenyl)-3-[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)	4.24	-2.61	-17.98	2	8	0	83	480.609	6	↓ MOL2 SDF SMILES Flexibase

750963

Analogs

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Popular Name: 1-(2-ethylphenyl)-3-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]urea 1-(2-ethylphenyl)-3-[3-(4-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)	5.06	12.15	-18.23	2	6	0	65	448.611	5	↓ MOL2 SDF SMILES Flexibase

750965

Analogs

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Popular Name: 1-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]-3-o-phenetyl-urea 1-[3-(4-methylpiperidine-1-carbo…

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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	10.87	-17.03	2	7	0	74	464.61	6	↓ MOL2 SDF SMILES Flexibase

750969

Analogs

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Popular Name: 1-(2,6-dichlorophenyl)-3-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]urea 1-(2,6-dichlorophenyl)-3-[3-(4-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)	5.46	11.48	-17.05	2	6	0	65	489.447	4	↓ MOL2 SDF SMILES Flexibase

751129

Analogs

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Popular Name: 1-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidino)phenyl]-3-[3-(trifluoromethyl)phenyl]urea 1-[3-(4-methylpiperidine-1-carbo…

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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)	5.31	11.42	-16.04	2	6	0	65	502.581	5	↓ MOL2 SDF SMILES Flexibase

751139

Analogs

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Popular Name: 1-(2,6-dimethylphenyl)-3-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidino)phenyl]urea 1-(2,6-dimethylphenyl)-3-[3-(4-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)	4.30	11.97	-15.45	2	6	0	65	462.638	4	↓ MOL2 SDF SMILES Flexibase

751143

Analogs

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Popular Name: 1-(3-methoxyphenyl)-3-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidino)phenyl]urea 1-(3-methoxyphenyl)-3-[3-(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)	4.47	9.75	-20.02	2	7	0	74	464.61	5	↓ MOL2 SDF SMILES Flexibase

751146

Analogs

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Popular Name: 1-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidino)phenyl]-3-(o-tolyl)urea 1-[3-(4-methylpiperidine-1-carbo…

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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	11.23	-21.62	2	6	0	65	448.611	4	↓ MOL2 SDF SMILES Flexibase

751150

Analogs

35722930

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-difluorophenyl)-3-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidino)phenyl]urea 1-(3,4-difluorophenyl)-3-[3-(4-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)	4.69	10.52	-17.56	2	6	0	65	470.564	4	↓ MOL2 SDF SMILES Flexibase

751152

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-ethylphenyl)-3-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidino)phenyl]urea 1-(3-ethylphenyl)-3-[3-(4-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)	5.33	11.82	-16.34	2	6	0	65	462.638	5	↓ MOL2 SDF SMILES Flexibase

751154

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,3-dimethylphenyl)-3-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidino)phenyl]urea 1-(2,3-dimethylphenyl)-3-[3-(4-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)	5.24	11.94	-21.83	2	6	0	65	462.638	4	↓ MOL2 SDF SMILES Flexibase

751158

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidino)phenyl]-3-o-phenetyl-urea 1-[3-(4-methylpiperidine-1-carbo…

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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	10.8	-19.46	2	7	0	74	478.637	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 703
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 = 703 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=703&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "703"        

    });
</script>

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