UCSF

ZINC00154957

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) 1.12 0.21 -8.67 2 3 0 50 182.219 4

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 1.647 Bitter DB
Boiling_Point 153-154?/4mm Alfa-Aesar
Boiling_Point 153-154°/4mm Alfa-Aesar
Melting_Point 69-71? Alfa-Aesar
Melting_Point 69-71° Alfa-Aesar
Therapy muscle relaxant (skeletal) SMDC Pharmakon

Activity (Go SEA)

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