UCSF

ZINC05413493

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) -0.22 5.47 -8.77 5 5 0 89 169.232 3
Mid Mid (pH 6-8) -0.35 4.01 -4.6 6 5 0 93 170.24 2
Mid Mid (pH 6-8) -0.35 4.75 -5.07 6 5 0 93 170.24 2
Mid Mid (pH 6-8) -0.35 2.65 -25.68 6 5 1 93 170.24 2
Lo Low (pH 4.5-6) -0.22 5.24 -30.77 6 5 1 91 170.24 3
Lo Low (pH 4.5-6) -0.22 5.19 -31.31 6 5 1 91 170.24 3

Activity (Go SEA)

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