UCSF

ZINC00170151

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) 1.93 5.58 -6.32 0 2 0 17 152.584 0
Mid Mid (pH 6-8) 1.93 6.06 -29.27 1 2 1 19 153.592 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 80-82? Alfa-Aesar
Melting_Point 80-82° Alfa-Aesar
melting_point 85 - 87 KeyOrganics
MP 85-87° Matrix Scientific
Purity 95% Fluorochem
Purity >95% 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.