UCSF

ZINC04389106

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) 4.68 12.97 -54.12 1 5 -1 78 386.427 7
Hi High (pH 8-9.5) 3.81 7.56 -13.75 0 6 0 70 347.374 5

Vendor Notes

Note Type Comments Provided By
Melting_Point 181-185? Alfa-Aesar
Melting_Point 181-185° Alfa-Aesar
MP 181-185°C Indofine
MP 183 TCI
Mp [°C] 184 - 185.5 Acros Organics
Purity 95% Fluorochem
Purity 98% Fluorochem

Activity (Go SEA)

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