UCSF

ZINC00901817

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) -1.57 -4.41 -40.47 2 6 -1 98 157.105 2

Vendor Notes

Note Type Comments Provided By
Mp [°C] 213 - 216 Acros Organics
Melting_Point ca 217? dec. Alfa-Aesar
Melting_Point ca 217° dec. Alfa-Aesar
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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