UCSF

ZINC40123708

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 29 No

Popular Name: (2R)-4-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3-(3-methyl-4-propoxy-benzoyl)-1,2-dihydropyrrol-5-one (2R)-4-hydroxy-2-(4-hydroxy-3-me…

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) 2.78 3.94 -56.87 2 7 -1 108 396.419 7 ↓
Lo Low (pH 4.5-6) 2.78 3.18 -16.28 3 7 0 105 397.427 7 ↓

Activity (Go SEA)

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