UCSF

ZINC22042017

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) 1.88 3.5 -45.54 2 5 1 46 329.848 8
Hi High (pH 8-9.5) 1.88 1.1 -8.67 1 5 0 45 328.84 8
Lo Low (pH 4.5-6) 1.88 5.77 -121.93 3 5 2 48 330.856 8

Activity (Go SEA)

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