UCSF

ZINC00407931

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) 2.25 -0.36 -4.1 0 3 0 39 236.09 3

Vendor Notes

Note Type Comments Provided By
Boiling_Point 216-217? Alfa-Aesar
BP 216-217° Oakwood Chemical
Purity 97% Fluorochem
Purity 97+% Matrix Scientific
PUBCHEM_PATENT_ID EP0436199A1; EP0436199B1; EP0904271A1; US4001421; US4025528; US4077968; US4089865; US5120752; US6066639; WO1997041115A1; WO2000062778A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.