UCSF

ZINC00068728

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) 3.45 7.72 -47.98 0 3 -1 53 237.234 1
Mid Mid (pH 6-8) 3.45 7.11 -16.25 1 3 0 50 238.242 1
Mid Mid (pH 6-8) 3.45 6.74 -13.84 1 3 0 50 238.242 1

Activity (Go SEA)

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