UCSF

ZINC02560144

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 Yes

Popular Name: 1-(3,5-Difluoro-4-methoxyphenyl)ethanone 1-(3,5-Difluoro-4-methoxyphenyl)…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 170570-79-3 , [170570-79-3]

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) 2.08 3.25 -7.45 0 2 0 26 186.157 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0731795A1; EP0731795B1; EP0854723A1; EP0923933A1; US5756529; US5760068; US6156781; WO1997011704A1 IBM Patent Data

Activity (Go SEA)

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