UCSF

ZINC13427351

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 30 Yes

Popular Name: (4R,5S,6R)-6-(1,3-benzodioxol-5-yl)-5-(4-chlorobenzoyl)-4-hydroxy-4-(trifluoromethyl)hexahydropyrimi (4R,5S,6R)-6-(1,3-benzodioxol-5-…

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) 3.62 3.31 -11.2 3 7 0 97 442.777 4 ↓

Activity (Go SEA)

Rings

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