UCSF

ZINC01587858

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) 2.45 4.85 -0.9 0 0 0 0 149.031 0

Vendor Notes

Note Type Comments Provided By
BP [°C] 137 - 139 Acros Organics
Boiling_Point 137-139? Alfa-Aesar
BP 137-139° Oakwood Chemical
BP 138 TCI
BP 138° Fluorochem
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings Flammable Matrix Scientific
H phrase H226: Flammable liquid and vapor Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking Acros Organics
R phrase R10: Flammable. 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.