UCSF

ZINC33825364

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) 2.96 8.37 -9.23 0 5 0 45 369.49 5
Mid Mid (pH 6-8) 2.96 7.37 -9.9 0 5 0 45 369.49 5
Mid Mid (pH 6-8) 2.96 10.63 -39 1 5 1 46 370.498 5
Mid Mid (pH 6-8) 2.96 9.68 -38.56 1 5 0 46 370.498 5
Lo Low (pH 4.5-6) -0.70 10.64 -91.21 2 5 2 46 371.506 6

Activity (Go SEA)

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