UCSF

ZINC33825359

Annotations

Vendors

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) 2.61 7.35 -7.6 0 5 0 45 347.484 5
Mid Mid (pH 6-8) 2.61 8.33 -41.27 1 5 1 46 348.492 5
Mid Mid (pH 6-8) 2.61 9.62 -38.44 1 5 1 46 348.492 5
Lo Low (pH 4.5-6) -2.00 10.23 -89.09 2 5 2 46 349.5 6

Activity (Go SEA)

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