UCSF

ZINC03884421

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 19 Yes

Popular Name: 4-[(3,4-dichlorobenzyl)oxy]benzenecarboxylic acid 4-[(3,4-dichlorobenzyl)oxy]benze…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 56442-18-3 , [56442-18-3]

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) 4.78 0.7 -50.06 0 3 -1 49 296.129 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 2.100000000000000e+002 - 2.140000000000000e+002 KeyOrganics
melting_point 210 - 214 KeyOrganics
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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