UCSF

ZINC22040791

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) -4.93 0.32 -175.49 3 10 -3 189 289.22 11
Mid Mid (pH 6-8) -4.93 -0.8 -108.1 4 10 -2 186 290.228 11
Mid Mid (pH 6-8) -4.93 -0.81 -109.82 4 10 -2 186 290.228 11
Lo Low (pH 4.5-6) -4.93 0.38 -88 5 10 -1 191 291.236 11

Activity (Go SEA)

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