UCSF

ZINC40052899

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 28 No

Popular Name: (2S)-3-(4-fluorobenzoyl)-4-hydroxy-1-(3-hydroxypropyl)-2-(4-methylsulfanylphenyl)-2H-pyrrol-5-one (2S)-3-(4-fluorobenzoyl)-4-hydro…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.61 7 -57.42 1 5 -1 81 400.451 7 ↓
Lo Low (pH 4.5-6) 2.61 6.24 -14.52 2 5 0 78 401.459 7 ↓

Activity (Go SEA)

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