UCSF

ZINC09707480

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 32 No

Popular Name: (2-chloro-6-fluoro-phenyl)methyl-dimethyl-phenyl-BLAHdione (2-chloro-6-fluoro-phenyl)methyl…

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) 4.00 1.71 -9.97 0 8 0 77 452.877 3 ↓
Mid Mid (pH 6-8) 4.00 1.91 -27.57 1 8 1 78 453.885 3 ↓

Activity (Go SEA)

Rings

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