UCSF

ZINC12496206

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) -4.56 -4.27 -433.76 4 16 -5 292 465.173 10
Mid Mid (pH 6-8) -4.56 -5.42 -303.43 5 16 -4 289 466.181 10
Lo Low (pH 4.5-6) -4.56 -7.42 -207.12 6 16 -3 287 467.189 10
Lo Low (pH 4.5-6) -4.56 -7.13 -183.11 6 16 -3 287 467.189 10

Activity (Go SEA)

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