UCSF

ZINC04283699

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) 0.41 -3.35 -9.27 2 5 0 68 190.195 1

Vendor Notes

Note Type Comments Provided By
BP [°C] 112 - 114 (p=0.1 torr) Acros Organics
Mp [°C] 68 - 70 Acros Organics
MP 70 TCI
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0421739A1 IBM Patent Data
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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