UCSF

ZINC02014547

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) 3.40 1.22 -2.14 2 1 0 26 177.291 2

Vendor Notes

Note Type Comments Provided By
Mp [°C] 45 Acros Organics
Melting_Point 54? Alfa-Aesar
Melting_Point 54° Alfa-Aesar
BP 122 / 10 TCI
Boiling_Point 254-257? Alfa-Aesar
Boiling_Point 254-257° Alfa-Aesar
BP [°C] 257 Acros Organics
Purity 97% APIChem
H phrase H412: Harmful to aquatic life with long lasting effects Acros Organics
P phrase P273: Avoid release to the environment Acros Organics
R phrase R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S61: Avoid release to the environment. Refer to special instructions / safety data sheets. Acros Organics

Activity (Go SEA)

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