UCSF

ZINC00404377

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) 0.67 2.1 -5.34 0 2 0 26 108.144 0

Vendor Notes

Note Type Comments Provided By
Boiling_Point 153-154? Alfa-Aesar
Boiling_Point 153-154° Alfa-Aesar
BP [°C] 154 Acros Organics
BP 154° Fluorochem
BP 155 TCI
Mp [°C] 34 - 40 Acros Organics
MP 35 - 40 Enamine Building Blocks
MP 35-40° Fluorochem
MP 35...40 Enamine Building Blocks
MP 37 TCI
Melting_Point 38-43? Alfa-Aesar
Melting_Point 38-43° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Hazard F: Highly flammable Acros Organics
Hazard F: Highly flammable; XN: Harmful Acros Organics
H phrase H228: Flammable solid Acros Organics
H phrase H228: Flammable solid; H302: Harmful if swallowed Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking Acros Organics
R phrase R11: Highly flammable. Acros Organics
R phrase R11: Highly flammable.; R22: Harmful if swallowed. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.