UCSF

ZINC04234693

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) 1.76 3.43 -6.7 3 3 0 55 177.182 1
Mid Mid (pH 6-8) 1.76 3.41 -6.4 3 3 0 55 177.182 1
Lo Low (pH 4.5-6) 1.76 3.49 -35.48 4 3 1 56 178.19 1

Vendor Notes

Note Type Comments Provided By
melting_point 109 - 111 KeyOrganics
Melting_Point 122-125? Alfa-Aesar
MP 122-125° Oakwood Chemical
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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