UCSF

ZINC00157459

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) 1.91 2.46 -3.63 1 1 0 20 142.585 1

Vendor Notes

Note Type Comments Provided By
BP 135 / 12 TCI
BP [°C] 227 Acros Organics
Boiling_Point 227? Alfa-Aesar
Boiling_Point 227° Alfa-Aesar
MP 69 - 71 Enamine Building Blocks
Mp [°C] 69 - 72 Acros Organics
M.P 69-71 °C Indofine
Melting_Point 69-71? Alfa-Aesar
Melting_Point 69-71° Alfa-Aesar
MP 69...71 Enamine Building Blocks
MP 71 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 99% Matrix Scientific
Warnings Irritant Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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