UCSF

ZINC09421757

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 22 Yes

Popular Name: (4-fluorophenyl)-methyl-BLAHdione (4-fluorophenyl)-methyl-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) 1.18 7.95 -12.02 2 7 0 88 299.265 1 ↓
Hi High (pH 8-9.5) 2.10 4.08 -104.12 0 7 -2 94 297.249 1 ↓
Mid Mid (pH 6-8) 1.18 7.45 -45.94 3 7 1 89 300.273 1 ↓
Lo Low (pH 4.5-6) 1.64 6.56 -34.94 1 7 -1 91 298.257 1 ↓

Activity (Go SEA)

Rings

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

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