UCSF

ZINC02041000

Annotations

Vendors

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) 3.79 2.16 -1.48 0 0 0 0 134.222 2

Vendor Notes

Note Type Comments Provided By
Mp [°C] 75 Acros Organics
MP 75.5° Oakwood Chemical
Melting_Point 75? Alfa-Aesar
Melting_Point 75° Alfa-Aesar
BP 173 TCI
BP [°C] 173 - 174 Acros Organics
Boiling_Point 173-174? Alfa-Aesar
Boiling_Point 173-174° Alfa-Aesar
Purity 99% Fluorochem
H phrase H226: Flammable liquid and vapor Acros Organics
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.