UCSF

ZINC05046002

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) 1.82 3.55 -40.58 0 4 -1 53 159.172 1

Vendor Notes

Note Type Comments Provided By
MP 248 TCI
Melting_Point 250-252? Alfa-Aesar
Melting_Point 250-252° Alfa-Aesar
melting_point 260 KeyOrganics
MP 260° Matrix Scientific
Purity >95% Matrix Scientific
PUBCHEM_PATENT_ID EP0398703A1; EP0398703B1; EP0620844B1; EP0971037A3; US4476226; US4565783; US4892817; US5089413; US5232838; US5409838; US5681712; US5869321; USRE35286; WO1982002563A1; WO1996038533A1; WO1997011157A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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