UCSF

ZINC16698756

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 5.58 -54.49 0 4 -1 57 229.137 2

Vendor Notes

Note Type Comments Provided By
melting_point 238 - 239 KeyOrganics
MP 238-239° Matrix Scientific
Melting_Point 251-253? Alfa-Aesar
Purity 97% Fluorochem
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.