UCSF

ZINC52507854

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) 1.45 4.02 -10.75 1 8 0 105 268.225 4

Vendor Notes

Note Type Comments Provided By
melting_point 1.270000000000000e+002 - 1.290000000000000e+002 KeyOrganics
melting_point 127 - 129 KeyOrganics
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.