UCSF

ZINC04171365

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 25 No

Popular Name: ethyl-dimethyl-phenyl-BLAHdione ethyl-dimethyl-phenyl-BLAHdione

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) 2.47 9.88 -8.23 1 8 0 86 338.371 2 ↓
Mid Mid (pH 6-8) 2.47 -0.6 -33.46 2 8 1 87 339.379 2 ↓
Lo Low (pH 4.5-6) 2.65 10.77 -32.88 2 8 1 91 339.379 2 ↓

Activity (Go SEA)

Rings

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