UCSF

ZINC67172445

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2011 23 Yes

Popular Name: 7-(4-Methyl-benzoyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one 7-(4-Methyl-benzoyl)-5H-[1,3]dio…

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) 2.40 7.12 -18.71 1 5 0 68 307.305 2 ↓
Mid Mid (pH 6-8) 3.70 5.74 -44.45 0 5 -1 71 306.297 2 ↓

Activity (Go SEA)

Rings

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