UCSF

ZINC22063685

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) 7.86 19.25 -18.49 0 6 0 62 528.656 8
Mid Mid (pH 6-8) 7.86 19.67 -38.97 1 6 1 63 529.664 8
Mid Mid (pH 6-8) 7.86 19.66 -37.75 1 6 1 63 529.664 8
Lo Low (pH 4.5-6) 7.86 20.07 -82.93 2 6 2 64 530.672 8

Activity (Go SEA)

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