UCSF

ZINC02512486

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) 1.92 3.51 -8.1 1 2 0 37 154.14 1

Vendor Notes

Note Type Comments Provided By
MP 24-26° Oakwood Chemical
MP 27-30° Matrix Scientific
Melting_Point 29-34? Alfa-Aesar
Melting_Point 29-34° Alfa-Aesar
MP 31-35° Fluorochem
Boiling_Point 65?/2mm Alfa-Aesar
Boiling_Point 65°/2mm Alfa-Aesar
Purity 97% Fluorochem
Purity 97+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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