UCSF

ZINC00167996

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 20 No

Popular Name: 3-[2-(3,4-difluorophenoxy)phenyl]acrylic acid 3-[2-(3,4-difluorophenoxy)phenyl…

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CAS Number: 338393-76-3

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) 3.69 3.22 -54.14 0 3 -1 49 275.23 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 198 - 200 KeyOrganics
MP 198-200° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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