UCSF

ZINC13657234

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) 2.26 4.53 -9.53 3 2 0 38 221.112 2
Mid Mid (pH 6-8) 2.94 4.57 -35.71 2 2 -1 38 220.104 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 157-160? Alfa-Aesar
Melting_Point 157-160° Alfa-Aesar
MP 160° Matrix Scientific
melting_point 163 - 165 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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