UCSF

ZINC00154449

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) 0.15 1.89 -6.3 2 3 0 52 123.159 0
Lo Low (pH 4.5-6) 0.15 2.15 -26.91 3 3 1 53 124.167 0
Lo Low (pH 4.5-6) 0.15 -1.45 -27.99 3 3 1 53 124.167 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 184-186? Alfa-Aesar
Melting_Point 184-186° Alfa-Aesar
MP 185 TCI
BP 254 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem

Activity (Go SEA)

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