UCSF

ZINC02027941

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) 2.56 -2.07 -9.04 2 6 0 84 253.254 7

Vendor Notes

Note Type Comments Provided By
melting_point 0 KeyOrganics
BP [°C] 170 (p=0.1 torr) Acros Organics
MP 37 TCI
MP 41-43 °C(lit.) Indofine
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
PUBCHEM_PATENT_ID US5618808 IBM Patent Data

Activity (Go SEA)

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