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ZINC Item

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64542355

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea 1-(3-chlorophenyl)-3-([1,2,4]tri…

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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)	2.58	7.52	-16.53	2	6	0	71	287.71	2	↓ MOL2 SDF SMILES Flexibase

64542356

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-ethylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea 1-(4-ethylphenyl)-3-([1,2,4]tria…

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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)	2.84	8.44	-17.27	2	6	0	71	281.319	3	↓ MOL2 SDF SMILES Flexibase

64542357

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dimethylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea 1-(3,4-dimethylphenyl)-3-([1,2,4…

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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)	2.75	8.23	-17.42	2	6	0	71	281.319	2	↓ MOL2 SDF SMILES Flexibase

64542358

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dimethylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea 1-(2,5-dimethylphenyl)-3-([1,2,4…

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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)	2.75	8.55	-17.3	2	6	0	71	281.319	2	↓ MOL2 SDF SMILES Flexibase

64542359

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,5-dimethylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea 1-(3,5-dimethylphenyl)-3-([1,2,4…

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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)	2.75	8.34	-17.35	2	6	0	71	281.319	2	↓ MOL2 SDF SMILES Flexibase

64542360

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(p-tolyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea 1-(p-tolyl)-3-([1,2,4]triazolo[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)	2.37	7.67	-17.41	2	6	0	71	267.292	2	↓ MOL2 SDF SMILES Flexibase

64542361

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(o-tolyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea 1-(o-tolyl)-3-([1,2,4]triazolo[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)	2.32	7.94	-17.35	2	6	0	71	267.292	2	↓ MOL2 SDF SMILES Flexibase

64542362

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea 1-(4-fluorophenyl)-3-([1,2,4]tri…

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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)	2.09	7.07	-18.38	2	6	0	71	271.255	2	↓ MOL2 SDF SMILES Flexibase

64542363

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(m-tolyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea 1-(m-tolyl)-3-([1,2,4]triazolo[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)	2.35	7.67	-17.5	2	6	0	71	267.292	2	↓ MOL2 SDF SMILES Flexibase

64542364

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-ethylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea 1-(2-ethylphenyl)-3-([1,2,4]tria…

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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)	2.79	8.72	-16.79	2	6	0	71	281.319	3	↓ MOL2 SDF SMILES Flexibase

64542365

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea 1-(2-chlorophenyl)-3-([1,2,4]tri…

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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)	2.55	7.65	-15.15	2	6	0	71	287.71	2	↓ MOL2 SDF SMILES Flexibase

64542366

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-dimethylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea 1-(2,4-dimethylphenyl)-3-([1,2,4…

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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)	2.75	8.59	-17.4	2	6	0	71	281.319	2	↓ MOL2 SDF SMILES Flexibase

64542368

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-fluoro-4-methyl-phenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea 1-(3-fluoro-4-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)	2.46	7.71	-16.98	2	6	0	71	285.282	2	↓ MOL2 SDF SMILES Flexibase

64542369

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-difluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea 1-(2,5-difluorophenyl)-3-([1,2,4…

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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)	2.18	7.21	-16.84	2	6	0	71	289.245	2	↓ MOL2 SDF SMILES Flexibase

64542371

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea 1-(2-fluorophenyl)-3-([1,2,4]tri…

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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	7.14	-15.6	2	6	0	71	271.255	2	↓ MOL2 SDF SMILES Flexibase

64542372

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-difluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea 1-(2,4-difluorophenyl)-3-([1,2,4…

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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)	2.18	7.21	-15.32	2	6	0	71	289.245	2	↓ MOL2 SDF SMILES Flexibase

64542374

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea 1-(3-fluorophenyl)-3-([1,2,4]tri…

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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)	2.06	7.06	-16.97	2	6	0	71	271.255	2	↓ MOL2 SDF SMILES Flexibase

64542375

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-fluoro-2-methyl-phenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea 1-(3-fluoro-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)	2.44	7.93	-16.97	2	6	0	71	285.282	2	↓ MOL2 SDF SMILES Flexibase

64542376

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-ethylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea 1-(3-ethylphenyl)-3-([1,2,4]tria…

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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)	2.81	8.44	-17.35	2	6	0	71	281.319	3	↓ MOL2 SDF SMILES Flexibase

64542377

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-ethylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea 1-(4-ethylphenyl)-3-(3-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)	2.92	8.27	-17.53	2	6	0	71	295.346	3	↓ MOL2 SDF SMILES Flexibase

64542378

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dimethylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea 1-(3,4-dimethylphenyl)-3-(3-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)	2.84	8.06	-17.68	2	6	0	71	295.346	2	↓ MOL2 SDF SMILES Flexibase

64542379

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dimethylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea 1-(2,5-dimethylphenyl)-3-(3-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)	2.84	8.38	-17.54	2	6	0	71	295.346	2	↓ MOL2 SDF SMILES Flexibase

64542380

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,5-dimethylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea 1-(3,5-dimethylphenyl)-3-(3-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)	2.84	8.17	-17.61	2	6	0	71	295.346	2	↓ MOL2 SDF SMILES Flexibase

64542381

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-(p-tolyl)urea 1-(3-methyl-[1,2,4]triazolo[4,3-…

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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)	2.46	7.5	-17.71	2	6	0	71	281.319	2	↓ MOL2 SDF SMILES Flexibase

64542382

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-(o-tolyl)urea 1-(3-methyl-[1,2,4]triazolo[4,3-…

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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)	2.41	7.77	-17.6	2	6	0	71	281.319	2	↓ MOL2 SDF SMILES Flexibase

64542383

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea 1-(4-fluorophenyl)-3-(3-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)	2.17	6.9	-18.7	2	6	0	71	285.282	2	↓ MOL2 SDF SMILES Flexibase

64542384

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-(m-tolyl)urea 1-(3-methyl-[1,2,4]triazolo[4,3-…

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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)	2.44	7.5	-17.8	2	6	0	71	281.319	2	↓ MOL2 SDF SMILES Flexibase

64542385

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-ethylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea 1-(2-ethylphenyl)-3-(3-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)	2.88	8.55	-17.08	2	6	0	71	295.346	3	↓ MOL2 SDF SMILES Flexibase

64542386

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-dimethylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea 1-(2,4-dimethylphenyl)-3-(3-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)	2.84	8.42	-17.64	2	6	0	71	295.346	2	↓ MOL2 SDF SMILES Flexibase

64542388

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-fluoro-4-methyl-phenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea 1-(3-fluoro-4-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)	2.55	7.53	-17.23	2	6	0	71	299.309	2	↓ MOL2 SDF SMILES Flexibase

64542390

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-fluorophenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea 1-(2-fluorophenyl)-3-(3-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)	2.13	6.97	-15.85	2	6	0	71	285.282	2	↓ MOL2 SDF SMILES Flexibase

64542392

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-fluorophenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea 1-(3-fluorophenyl)-3-(3-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)	2.15	6.9	-20.54	2	6	0	71	285.282	2	↓ MOL2 SDF SMILES Flexibase

64542394

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-fluoro-2-methyl-phenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea 1-(3-fluoro-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)	2.53	7.76	-17.18	2	6	0	71	299.309	2	↓ MOL2 SDF SMILES Flexibase

64542395

Analogs

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Popular Name: 1-(3-ethylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea 1-(3-ethylphenyl)-3-(3-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)	2.90	8.27	-17.64	2	6	0	71	295.346	3	↓ MOL2 SDF SMILES Flexibase

64542396

Analogs

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Popular Name: 1-(3-isopropyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-phenyl-urea 1-(3-isopropyl-[1,2,4]triazolo[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)	3.07	7.86	-16.98	2	6	0	71	295.346	3	↓ MOL2 SDF SMILES Flexibase

64542403

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-phenyl-urea 1-(3-ethyl-[1,2,4]triazolo[4,3-a…

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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)	2.58	7.45	-17.26	2	6	0	71	281.319	3	↓ MOL2 SDF SMILES Flexibase

64542404

Analogs

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Popular Name: 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-(p-tolyl)urea 1-(3-ethyl-[1,2,4]triazolo[4,3-a…

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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)	3.03	8.13	-17.33	2	6	0	71	295.346	3	↓ MOL2 SDF SMILES Flexibase

64542405

Analogs

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Popular Name: 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-(o-tolyl)urea 1-(3-ethyl-[1,2,4]triazolo[4,3-a…

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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)	2.98	8.37	-17.24	2	6	0	71	295.346	3	↓ MOL2 SDF SMILES Flexibase

64542406

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-(4-fluorophenyl)urea 1-(3-ethyl-[1,2,4]triazolo[4,3-a…

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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)	2.75	7.52	-18.28	2	6	0	71	299.309	3	↓ MOL2 SDF SMILES Flexibase

64542407

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-(m-tolyl)urea 1-(3-ethyl-[1,2,4]triazolo[4,3-a…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.01	8.12	-17.15	2	6	0	71	295.346	3	↓ MOL2 SDF SMILES Flexibase

64542409

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-(2-fluorophenyl)urea 1-(3-ethyl-[1,2,4]triazolo[4,3-a…

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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)	2.70	7.58	-15.44	2	6	0	71	299.309	3	↓ MOL2 SDF SMILES Flexibase

64542410

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-(3-fluorophenyl)urea 1-(3-ethyl-[1,2,4]triazolo[4,3-a…

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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)	2.72	7.52	-20.12	2	6	0	71	299.309	3	↓ 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

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 = 367775 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<script type="text/javascript">
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