UCSF

ZINC16998249

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) -2.50 3.64 -143.44 6 13 -2 218 441.404 9
Lo Low (pH 4.5-6) -2.50 3.15 -142.22 7 13 -1 219 442.412 9
Lo Low (pH 4.5-6) -2.50 4.06 -149.79 7 13 -1 219 442.412 9

Activity (Go SEA)

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

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