UCSF

ZINC01403937

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) 2.88 4.33 -5.74 3 3 0 55 228.082 1
Ref Reference (pH 7) 2.88 4.31 -6.14 3 3 0 55 228.082 1
Lo Low (pH 4.5-6) 2.88 4.39 -36.77 4 3 1 56 229.09 1

Vendor Notes

Note Type Comments Provided By
melting_point 167 - 168 KeyOrganics

Activity (Go SEA)

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

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