UCSF

ZINC40099642

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 33 No

Popular Name: (2R)-3-(4-allyloxybenzoyl)-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-butyl-4-hydroxy-2H-pyrrol-5-one (2R)-3-(4-allyloxybenzoyl)-2-(3-…

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) 4.82 8.55 -57.66 1 7 -1 99 515.38 10 ↓
Hi High (pH 8-9.5) 4.82 9.47 -115.33 0 7 -2 102 514.372 10 ↓
Lo Low (pH 4.5-6) 4.82 7.8 -15.09 2 7 0 96 516.388 10 ↓

Activity (Go SEA)

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