UCSF

ZINC03831029

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) -2.68 -9.6 -43.53 7 6 1 118 196.223 6
Hi High (pH 8-9.5) -2.68 -11.1 -8.87 6 6 0 113 195.215 6

Vendor Notes

Note Type Comments Provided By
Mp [°C] 128 - 132 Acros Organics
Melting_Point 128-131? Alfa-Aesar
Melting_Point 128-131° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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