UCSF

ZINC01587606

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) 2.18 6.62 -5.78 0 1 0 17 148.205 3

Vendor Notes

Note Type Comments Provided By
BP 115 / 12.8 TCI
BP [°C] 235 - 237 Acros Organics
Boiling_Point 235-237? Alfa-Aesar
Boiling_Point 235-237° Alfa-Aesar
H phrase H315: Causes skin irritation Acros Organics
P phrase P302+ P352: IF ON SKIN: Wash with plenty of soap and water Acros Organics
R phrase R38: Irritating to skin. Acros Organics
S phrase S37: Wear suitable gloves. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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