UCSF

ZINC08648498

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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) 3.31 3.91 -39.27 0 2 -1 36 212.15 1
Mid Mid (pH 6-8) 2.01 5.23 -9.34 1 2 0 33 213.158 1

Vendor Notes

Note Type Comments Provided By
MP 198-203° Matrix Scientific
mp 206 - 208 MolMall (formerly Molecular Diversity Preservation International)
Purity 95% Matrix Scientific
Purity 97% Fluorochem
PUBCHEM_PATENT_ID EP0412848A2; EP0412848B1; US5198439; US5444071 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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