UCSF

ZINC61403025

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 22 Yes

Popular Name: 1-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-(2-imidazol-1-ylethyl)urea 1-(1,3-dimethylpyrazolo[3,4-b]py…

Find On: PubMed — Wikipedia — Google

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) 0.35 5.71 -47.67 3 8 1 91 300.346 4 ↓
Mid Mid (pH 6-8) 0.35 5.2 -20.31 2 8 0 90 299.338 4 ↓

Activity (Go SEA)

Rings

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

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