UCSF

ZINC40078065

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 31 No

Popular Name: (2S)-4-hydroxy-1-(2-hydroxyethyl)-2-(4-hydroxy-3-methoxy-phenyl)-3-(4-propoxybenzoyl)-2H-pyrrol-5-on (2S)-4-hydroxy-1-(2-hydroxyethyl…

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) 2.02 3.37 -58.23 2 8 -1 119 426.445 9 ↓
Lo Low (pH 4.5-6) 2.02 2.62 -14.53 3 8 0 117 427.453 9 ↓

Activity (Go SEA)

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