UCSF

ZINC01641451

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) 2.16 6.75 -11.14 0 4 0 52 252.273 3
Lo Low (pH 4.5-6) 2.16 7.11 -33.34 1 4 1 53 253.281 3

Vendor Notes

Note Type Comments Provided By
Boiling_Point 227?/10mm Alfa-Aesar
Boiling_Point 227°/10mm Alfa-Aesar
Melting_Point 89-92? Alfa-Aesar
Melting_Point 89-92° Alfa-Aesar

Activity (Go SEA)

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