UCSF

ZINC30724307

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) -4.76 -9.16 -406.2 17 12 5 225 468.616 6
Hi High (pH 8-9.5) -4.76 -11.45 -46.89 13 12 1 215 464.584 6
Hi High (pH 8-9.5) -4.76 -10.25 -183.06 15 12 3 219 466.6 6
Hi High (pH 8-9.5) -4.76 -10.66 -102.18 14 12 2 217 465.592 6
Mid Mid (pH 6-8) -4.76 -8.98 -255.77 16 12 4 223 467.608 6

Activity (Go SEA)

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