UCSF

ZINC94437788

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) -3.42 -1 -94.47 4 7 -1 140 231.228 8
Hi High (pH 8-9.5) -3.42 -1.3 -109.07 3 7 -2 139 230.22 8
Lo Low (pH 4.5-6) -3.42 -2.97 -53.88 5 7 0 138 232.236 8

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.