UCSF

ZINC72190685

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) -0.36 1.91 -16.97 3 5 0 72 176.179 1
Lo Low (pH 4.5-6) -0.36 2.4 -37.56 4 5 1 74 177.187 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 258-261? Alfa-Aesar
melting_point 269 - 270 KeyOrganics
MP 269-270° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.