UCSF

ZINC14454631

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) 9.28 17.45 -45.33 1 3 -1 60 411.691 25
Lo Low (pH 4.5-6) 9.28 15.48 -7.13 2 3 0 58 412.699 25

Activity (Go SEA)

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