UCSF

ZINC00058209

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 14 No

Popular Name: 3-(4-Bromobenzoyl)acrylic acid 3-(4-Bromobenzoyl)acrylic acid

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CAS Numbers: 20972-38-7 , 39644-80-9

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) 2.03 0.51 -44.43 0 3 -1 57 254.059 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 152-154o C Indofine
MP 159-160° Oakwood Chemical
SOLUBILITY Soluble in Chloroform Indofine

Activity (Go SEA)

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