UCSF

ZINC33857003

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 30 Yes

Popular Name: (-)-11-hydroxyrotenone; (-)-sumatrol; (1)benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-5-hydroxy-2-isopropenyl-8,9-dimethoxy-, (-)-; CPD-12172; beta-toxicarol; sumatrol (-)-11-hydroxyrotenone; (-)-suma…

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) 3.50 7.25 -13.08 1 7 0 83 410.422 3 ↓
Hi High (pH 8-9.5) 3.50 8.25 -60.37 0 7 -1 86 409.414 3 ↓

Activity (Go SEA)

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

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