UCSF

ZINC00389678

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) 0.17 1.68 -43.52 3 3 1 54 132.183 3

Vendor Notes

Note Type Comments Provided By
Mp [°C] 138 - 142 Acros Organics
Boiling_Point 29-31?/2mm Alfa-Aesar
Boiling_Point 29-31°/2mm Alfa-Aesar
Melting_Point ca 140? dec. Alfa-Aesar
Melting_Point ca 140° dec. 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.