UCSF

ZINC33823929

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) 3.78 10.17 -41.77 1 5 1 43 389.56 8
Mid Mid (pH 6-8) 3.78 8.46 -6.6 0 5 0 42 388.552 8
Mid Mid (pH 6-8) 3.78 10.73 -42.39 1 5 1 43 389.56 8
Lo Low (pH 4.5-6) 3.78 12.44 -114.68 2 5 2 44 390.568 8

Activity (Go SEA)

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