UCSF

ZINC02168492

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) 3.18 0.72 -10 0 2 0 29 177.228 2

Vendor Notes

Note Type Comments Provided By
Boiling_Point 135-136?/2mm Alfa-Aesar
Boiling_Point 135-136°/2mm Alfa-Aesar
BP 136°/2mm Fluorochem
MP 24° Matrix Scientific
MP 26-28 Matrix Scientific
MP 26-28° Fluorochem
Purity 98% Matrix Scientific
Melting_Point ca 24? Alfa-Aesar
Melting_Point ca 24° Alfa-Aesar
Warnings IRRITANT Matrix Scientific
Warnings Toxic/Corrosive/Moisture Sensitive Matrix Scientific

Activity (Go SEA)

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

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