UCSF

ZINC00170449

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 18 Yes

Popular Name: 4-[(3-fluorobenzyl)oxy]benzenecarboxylic acid 4-[(3-fluorobenzyl)oxy]benzeneca…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 405-85-6 , [405-85-6]

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) 3.64 1.72 -50.6 0 3 -1 49 245.229 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 1.940000000000000e+002 - 1.960000000000000e+002 KeyOrganics
melting_point 194 - 196 KeyOrganics
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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