UCSF

ZINC20112674

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) 1.46 4.72 -10.55 2 8 0 95 347.371 6
Mid Mid (pH 6-8) 1.46 6.42 -109.91 4 8 2 101 349.387 6
Mid Mid (pH 6-8) 1.46 5.97 -45.46 3 8 1 99 348.379 6
Mid Mid (pH 6-8) 1.46 5.28 -41.15 3 8 1 96 348.379 6

Activity (Go SEA)

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