UCSF

ZINC22041477

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) 3.84 9.96 -8.53 0 3 0 30 383.948 3
Mid Mid (pH 6-8) 3.84 11.41 -47.12 1 3 1 31 384.956 3
Mid Mid (pH 6-8) 3.84 12.25 -55.68 1 3 1 31 384.956 3

Activity (Go SEA)

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