UCSF

ZINC00160737

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 19 No

Popular Name: (E)-3-(4-(Benzyloxy)phenyl)acrylic acid (E)-3-(4-(Benzyloxy)phenyl)acryl…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 6272-45-3 , [6272-45-3]

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) 3.56 1.26 -51.26 0 3 -1 49 253.277 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 141 - 143 Enamine Building Blocks
MP 141...143 Enamine Building Blocks
melting_point 199 - 201 KeyOrganics
melting_point 206 - 208 KeyOrganics
MP 206-208° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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