UCSF

ZINC01718402

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) 2.22 5.42 -43.5 1 3 -1 42 176.224 1
Mid Mid (pH 6-8) 2.22 5.45 -25.36 2 3 0 43 177.232 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 253-258? Alfa-Aesar
Melting_Point 253-258° Alfa-Aesar
MP 258-261° Oakwood Chemical
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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