UCSF

ZINC22995902

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) 2.97 5.87 -9.98 2 5 0 78 364.224 3
Lo Low (pH 4.5-6) 2.97 6.21 -32.52 3 5 1 79 365.232 3

Vendor Notes

Note Type Comments Provided By
melting_point 2.240000000000000e+002 - 2.260000000000000e+002 KeyOrganics
melting_point 224 - 226 KeyOrganics
MP 224-226° Matrix Scientific
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.