UCSF

ZINC31562010

Annotations

Vendors

    None

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) 3.17 14.65 -47.59 1 10 1 96 517.61 9
Mid Mid (pH 6-8) 3.17 14.65 -52.68 1 10 1 96 517.61 9
Mid Mid (pH 6-8) 3.17 12.39 -15.96 0 10 0 95 516.602 9

Activity (Go SEA)

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