UCSF

ZINC13546152

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) 2.68 9.89 -60.18 1 5 -1 94 349.447 12
Lo Low (pH 4.5-6) 2.68 7.9 -13.7 2 5 0 92 350.455 12
Lo Low (pH 4.5-6) 2.68 7.91 -16.4 2 5 0 92 350.455 12
Lo Low (pH 4.5-6) 2.68 7.97 -19.45 2 5 0 92 350.455 12
Lo Low (pH 4.5-6) 2.68 7.93 -12.78 2 5 0 92 350.455 12

Activity (Go SEA)

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