UCSF

ZINC65314546

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 21 Yes

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

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Download: MOL2 SDF SMILES Flexibase

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.52 8.66 -14.95 2 6 0 75 301.737 1 ↓
Hi High (pH 8-9.5) 2.97 8.13 -54.64 1 6 -1 78 300.729 3 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.