UCSF

ZINC00156391

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) 1.29 3.29 -47.81 0 3 -1 53 170.575 1

Vendor Notes

Note Type Comments Provided By
MP 150 TCI
Mp [°C] 157 - 161 Acros Organics
Melting_Point 157-162? Alfa-Aesar
Melting_Point 157-162° Alfa-Aesar
MP 162 - 164 Enamine Building Blocks
MP 162-164° Oakwood Chemical
MP 162...164 Enamine Building Blocks
MP 163 - 164 Enamine Building Blocks
BP 163 / 22 TCI
MP 164 - 164 Enamine Building Blocks
MP 164 - 166 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
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% )