UCSF

ZINC40054615

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 33 No

Popular Name: (2S)-3-(3-allyloxybenzoyl)-2-(2,5-dimethoxyphenyl)-4-hydroxy-1-(3-hydroxypropyl)-2H-pyrrol-5-one (2S)-3-(3-allyloxybenzoyl)-2-(2,…

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) 2.74 5.49 -66.94 1 8 -1 108 452.483 11 ↓
Lo Low (pH 4.5-6) 2.74 4.73 -17.18 2 8 0 106 453.491 11 ↓

Activity (Go SEA)

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