UCSF

ZINC01695304

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) 3.03 3.42 -6.97 0 4 0 52 222.24 6

Vendor Notes

Note Type Comments Provided By
BP 142 / 2 TCI
BP [°C] 302 Acros Organics
Mp [°C] 42 - 45 Acros Organics
Melting_Point 44-46? Alfa-Aesar
Melting_Point 44-46° Alfa-Aesar
MP 45 TCI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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