UCSF

ZINC40098049

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2R)-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-hydroxy-1-(2-hydroxyethyl)-3-(7-methoxybenzofuran-2-ca (2R)-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) 2.62 2.93 -61.84 2 9 -1 133 517.308 7 ↓
Hi High (pH 8-9.5) 2.62 3.85 -121.94 1 9 -2 135 516.3 7 ↓
Lo Low (pH 4.5-6) 2.62 2.18 -15.55 3 9 0 130 518.316 7 ↓

Activity (Go SEA)

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