UCSF

ZINC40077633

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 32 No

Popular Name: (2S)-3-(4-ethoxybenzoyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-[(E)-styryl]-2H-pyrrol-5-one (2S)-3-(4-ethoxybenzoyl)-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) 2.83 6.66 -65.7 1 7 -1 99 436.484 11 ↓
Lo Low (pH 4.5-6) 2.83 5.91 -17.89 2 7 0 96 437.492 11 ↓

Activity (Go SEA)

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