UCSF

ZINC20724664

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 27 Yes

Popular Name: (4S)-4-(2-isopropoxyphenyl)-3-methyl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4S)-4-(2-isopropoxyphenyl)-3-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) 2.34 7.79 -16.29 1 7 0 85 363.421 4 ↓
Ref Reference (pH 7) 2.16 10.56 -14 1 7 0 82 363.421 4 ↓

Activity (Go SEA)

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