UCSF

ZINC01597712

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) -0.55 -4.45 -6.76 3 3 0 61 134.175 5

Vendor Notes

Note Type Comments Provided By
Melting_Point 20? Alfa-Aesar
Melting_Point 20° Alfa-Aesar
Boiling_Point 166-168?/2mm Alfa-Aesar
Boiling_Point 166-168°/2mm Alfa-Aesar
BP [°C] 178 (p=6.7 torr) Acros Organics
Mp [°C] 25 - 32 Acros Organics
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.