UCSF

ZINC52507962

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) 1.96 6.37 -46.63 0 4 -1 57 229.137 2
Lo Low (pH 4.5-6) 1.96 6.84 -42.92 1 4 0 59 230.145 2

Vendor Notes

Note Type Comments Provided By
melting_point 226 - 227 (Dec) KeyOrganics
MP 226-227°(dec) 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.