UCSF

ZINC71789975

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 11 Yes

Popular Name: 1-(2-Bromo-6-hydroxyphenyl)ethanone 1-(2-Bromo-6-hydroxyphenyl)ethanone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 55736-69-1 , [55736-69-1]

Download: MOL2 SDF SMILES Flexibase

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) 2.54 2.78 -6.75 1 2 0 37 215.046 1 ↓
Mid Mid (pH 6-8) 2.54 3.89 -33.21 0 2 -1 40 214.038 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.