UCSF

ZINC40046857

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 26 No

Popular Name: (2S)-2-(2-bromophenyl)-4-hydroxy-1-(3-hydroxypropyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one (2S)-2-(2-bromophenyl)-4-hydroxy…

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) 2.26 5.54 -58.3 1 6 -1 94 419.251 6 ↓
Lo Low (pH 4.5-6) 2.26 4.79 -13 2 6 0 91 420.259 6 ↓

Activity (Go SEA)

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