UCSF

ZINC13282321

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) -3.70 1.41 -108.39 6 7 1 127 227.244 6
Ref Reference (pH 7) -3.51 -1.22 -110.94 6 7 1 130 227.244 6
Hi High (pH 8-9.5) -3.51 -1.63 -62.16 4 7 -1 127 225.228 6
Hi High (pH 8-9.5) -3.51 -2.07 -55.25 4 7 -1 127 225.228 6
Mid Mid (pH 6-8) -3.70 0.9 -80.02 5 7 0 126 226.236 6
Mid Mid (pH 6-8) -3.51 -1.19 -80.84 5 7 0 129 226.236 6
Mid Mid (pH 6-8) -3.51 -1.68 -82.15 5 7 0 129 226.236 6

Activity (Go SEA)

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