UCSF

ZINC65314545

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 22 Yes

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

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.90 7.77 -15 2 7 0 84 297.318 3 ↓
Hi High (pH 8-9.5) 2.35 7.23 -57.92 1 7 -1 87 296.31 5 ↓

Activity (Go SEA)

Rings

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

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