UCSF

ZINC40117689

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 27 No

Popular Name: (2S)-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-hydroxy-3-(4-methoxybenzoyl)-1,2-dihydropyrrol-5-one (2S)-2-(3-bromo-4-hydroxy-5-meth…

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) 2.50 2.08 -57.11 2 7 -1 108 433.234 5 ↓
Hi High (pH 8-9.5) 2.50 3 -113.06 1 7 -2 111 432.226 5 ↓
Lo Low (pH 4.5-6) 2.50 1.32 -16.9 3 7 0 105 434.242 5 ↓

Activity (Go SEA)

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