UCSF

ZINC09707565

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 31 No

Popular Name: (4-fluorophenyl)-bis(3-hydroxypropyl)-methyl-BLAHdione (4-fluorophenyl)-bis(3-hydroxypr…

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) 1.29 -3.85 -14.16 2 10 0 117 430.44 7 ↓
Mid Mid (pH 6-8) 1.29 -3.55 -41.69 3 10 1 119 431.448 7 ↓

Activity (Go SEA)

Rings

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

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