UCSF

ZINC54954611

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) 0.21 2.93 -6.12 2 3 0 52 177.269 6

Vendor Notes

Note Type Comments Provided By
Melting_Point 72-75? Alfa-Aesar
Melting_Point 72-75° Alfa-Aesar
Mp [°C] 82 - 92 Acros Organics
MP 90-92 °C(lit.) Indofine
Melting_Point 90-92? Alfa-Aesar
MP 90-92° Fluorochem
Purity 99% Fluorochem
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.