UCSF

ZINC01390246

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) 0.50 2.23 -7.1 3 4 0 68 160.18 1
Ref Reference (pH 7) 0.50 2.2 -9.58 3 4 0 68 160.18 1
Lo Low (pH 4.5-6) 0.50 2.52 -33.07 4 4 1 69 161.188 1

Vendor Notes

Note Type Comments Provided By
MP 120-121° Matrix Scientific
melting_point 200 - 202 KeyOrganics
MP 200-202° Matrix Scientific
Purity 95% 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.