UCSF

ZINC00058281

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) 2.24 1.79 -29.11 0 4 -1 69 206.099 2

Vendor Notes

Note Type Comments Provided By
Boiling_Point 135-138?/0.01mm Alfa-Aesar
Boiling_Point 135-138°/0.01mm Alfa-Aesar
MP 72° Matrix Scientific
Melting_Point 74-77? Alfa-Aesar
Melting_Point 74-77° Alfa-Aesar
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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