UCSF

ZINC40079274

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 32 No

Popular Name: (2S)-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-hydroxy-1-(2-hydroxyethyl)-3-(4-isopropoxybenzoyl)-2H- (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) 2.85 3.99 -59.85 2 8 -1 119 505.341 8 ↓
Hi High (pH 8-9.5) 2.85 4.91 -116.32 1 8 -2 122 504.333 8 ↓
Lo Low (pH 4.5-6) 2.85 3.24 -17.23 3 8 0 117 506.349 8 ↓

Activity (Go SEA)

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