UCSF

ZINC28538008

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) 5.49 15.62 -108.77 1 6 -2 109 411.583 21
Lo Low (pH 4.5-6) 5.49 13.64 -55.51 2 6 -1 107 412.591 21

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4273684 IBM Patent Data

Activity (Go SEA)

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