UCSF

ZINC00162085

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 Yes

Popular Name: 2-Fluoro-6-(4-methylbenzyloxy)benzonitrile 2-Fluoro-6-(4-methylbenzyloxy)be…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 175204-09-8 , [175204-09-8]

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) 3.86 3.82 -11.57 0 2 0 33 241.265 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 76-78° Matrix Scientific
Purity 95% Fluorochem
Warnings Irritant Matrix Scientific

Activity (Go SEA)

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