UCSF

ZINC31283805

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) 2.84 7.17 -51.15 2 7 1 65 441.548 6
Mid Mid (pH 6-8) 2.84 4.99 -10.09 1 7 0 64 440.54 6
Lo Low (pH 4.5-6) 2.84 7.26 -51.02 2 7 1 65 441.548 6

Activity (Go SEA)

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