UCSF

ZINC40077682

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 34 No

Popular Name: (2R)-2-(4-allyloxy-3-ethoxy-phenyl)-3-(4-ethoxybenzoyl)-4-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one (2R)-2-(4-allyloxy-3-ethoxy-phen…

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) 2.85 7.19 -60.06 1 8 -1 108 466.51 12 ↓
Lo Low (pH 4.5-6) 2.85 6.44 -15.19 2 8 0 106 467.518 12 ↓

Activity (Go SEA)

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