UCSF

ZINC67225525

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2011 22 Yes

Popular Name: N-(2-bromo-4-methyl-phenyl)-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-(2-bromo-4-methyl-phenyl)-5-me…

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) 2.92 4.92 -46.6 1 6 -1 82 360.191 2 ↓
Mid Mid (pH 6-8) 2.46 6.33 -16.28 2 6 0 79 361.199 2 ↓

Activity (Go SEA)

Rings

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

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