UCSF

ZINC03881595

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) -1.53 -4.97 -7.18 3 5 0 79 162.141 0

Vendor Notes

Note Type Comments Provided By
Mp [°C] 170 - 180 Acros Organics
Melting_Point 180-184? Alfa-Aesar
Melting_Point 180-184° Alfa-Aesar
MP 183 TCI
Purity 99% Fluorochem
PUBCHEM_PATENT_ID EP0155889A2; EP0166362A2; EP0239543A2; EP0294972A2; EP0294972B1; EP0316355A1; EP0316355B1; EP0327920A2; EP0378710A1; EP0404227B1; EP0423939A1; EP0426459A3; EP0449866A1; EP0449866B1; EP0461872A3; EP0470765A3; EP0470766A2; EP0470766A3; EP0475160B1; EP050379 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% )