UCSF

ZINC01046981

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) 1.43 -1.43 -5.5 1 3 0 38 166.102 1
Mid Mid (pH 6-8) 1.43 0.42 -40.69 0 3 -1 41 165.094 1

Vendor Notes

Note Type Comments Provided By
Mp [°C] 114 - 115 Acros Organics
M.P 114-115C Indofine
melting_point 150 - 152 KeyOrganics
MP 150-151.5° Matrix Scientific
MP 150-152° Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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

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