UCSF

ZINC12358875

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) -0.24 -2.22 -7.2 2 3 0 50 134.175 4

Vendor Notes

Note Type Comments Provided By
Melting_Point 32? Alfa-Aesar
Melting_Point 32° Alfa-Aesar
BP [°C] 229 - 232 Acros Organics
Boiling_Point 231-235? Alfa-Aesar
Boiling_Point 231-235° Alfa-Aesar
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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

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