UCSF

ZINC19478724

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) 0.01 0.68 -40.24 2 3 1 29 171.264 1
Mid Mid (pH 6-8) 0.01 -2.15 -36.76 0 3 -1 27 169.248 1

Vendor Notes

Note Type Comments Provided By
melting_point 40 - 43 KeyOrganics
MP 40-43° Matrix Scientific
MP 42-44° Oakwood Chemical
BP 84°/0.5mm Oakwood Chemical
Purity 95% Fluorochem
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Air Sensitive Matrix Scientific

Activity (Go SEA)

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