UCSF

ZINC33826880

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) 3.50 6.68 -6.42 1 3 0 27 386.586 4
Mid Mid (pH 6-8) 3.50 8.12 -36.81 2 3 1 28 387.594 4
Mid Mid (pH 6-8) 3.50 9.02 -37.41 2 3 1 28 387.594 4

Activity (Go SEA)

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