UCSF

ZINC00047740

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) 2.37 7.64 -9.93 0 4 0 44 218.256 3
Lo Low (pH 4.5-6) 2.37 8.08 -27.55 1 4 1 45 219.264 3

Vendor Notes

Note Type Comments Provided By
melting_point 58 - 60 KeyOrganics
MP 79-82° 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.