UCSF

ZINC33823900

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) 4.42 11.23 -38.75 1 4 1 34 361.55 9
Hi High (pH 8-9.5) 4.42 9.11 -4.56 0 4 0 33 360.542 9
Lo Low (pH 4.5-6) 4.42 13.33 -121.83 2 4 2 35 362.558 9

Activity (Go SEA)

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