UCSF

ZINC19872021

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) 0.55 0.1 -16.97 3 7 0 86 357.838 9
Mid Mid (pH 6-8) 0.55 1.51 -64.89 4 7 1 91 358.846 9
Lo Low (pH 4.5-6) 0.55 2.43 -54.17 4 7 1 87 358.846 9

Activity (Go SEA)

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