UCSF

ZINC08217515

Annotations

Vendors

    None

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 -9.34 -414.58 17 12 5 225 468.616 6
Hi High (pH 8-9.5) -4.76 -11.61 -44.29 13 12 1 215 464.584 6
Hi High (pH 8-9.5) -4.76 -10.75 -181.08 15 12 3 219 466.6 6
Hi High (pH 8-9.5) -4.76 -11.17 -101.69 14 12 2 217 465.592 6
Mid Mid (pH 6-8) -4.76 -9.51 -259.44 16 12 4 223 467.608 6

Activity (Go SEA)

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