UCSF

ZINC06920377

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) 8.95 15.91 -44.85 0 2 -1 40 325.557 19
Lo Low (pH 4.5-6) 8.95 14.79 -6.36 1 2 0 37 326.565 19

Vendor Notes

Note Type Comments Provided By
BP [°C] 170 (p=0.08 torr) Acros Organics
Mp [°C] 74 - 76 Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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