UCSF

ZINC04202982

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) 3.19 -2.57 -46.67 4 4 1 65 215.317 3
Hi High (pH 8-9.5) 1.89 7.34 -94.37 5 6 2 87 393.466 4

Vendor Notes

Note Type Comments Provided By
MP 114-115° Matrix Scientific
BP 332° Matrix Scientific
Purity 95% Fluorochem
Purity 98% Fluorochem
Purity >98% Matrix Scientific
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Refrigerate Matrix Scientific

Activity (Go SEA)

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