UCSF

ZINC20112672

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 5.21 -10.83 2 8 0 95 347.371 6
Mid Mid (pH 6-8) 1.46 6.58 -109.34 4 8 2 101 349.387 6
Mid Mid (pH 6-8) 1.46 6.13 -45.47 3 8 1 99 348.379 6
Mid Mid (pH 6-8) 1.46 5.12 -47.95 3 8 1 96 348.379 6

Activity (Go SEA)

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