UCSF

ZINC40047821

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 29 No

Popular Name: (2R)-3-(4-bromobenzoyl)-2-(4-dimethylaminophenyl)-4-hydroxy-1-(3-hydroxypropyl)-2H-pyrrol-5-one (2R)-3-(4-bromobenzoyl)-2-(4-dim…

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) 2.93 6.53 -60.99 1 6 -1 84 458.332 7 ↓
Lo Low (pH 4.5-6) 2.93 5.77 -15.39 2 6 0 81 459.34 7 ↓

Activity (Go SEA)

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