UCSF

ZINC20719917

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 30 Yes

Popular Name: (4S)-4-(4-isopropoxyphenyl)-3-methyl-1-(9H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4S)-4-(4-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) 2.22 8.1 -21.29 2 9 0 114 403.446 4 ↓
Ref Reference (pH 7) 2.04 10.85 -20.31 2 9 0 111 403.446 4 ↓
Hi High (pH 8-9.5) 2.22 7.6 -53.72 1 9 -1 112 402.438 4 ↓
Hi High (pH 8-9.5) 2.04 10.34 -49.14 1 9 -1 109 402.438 4 ↓
Mid Mid (pH 6-8) 2.04 10.82 -20.03 2 9 0 111 403.446 4 ↓
Mid Mid (pH 6-8) 2.22 8.08 -20.06 2 9 0 114 403.446 4 ↓

Activity (Go SEA)

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