UCSF

ZINC94437745

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) -3.23 -11.03 -145.02 4 10 -2 175 299.172 4
Mid Mid (pH 6-8) -3.23 -11.9 -54.26 5 10 -1 172 300.18 4
Lo Low (pH 4.5-6) -3.23 -12.18 -54.02 5 10 -1 172 300.18 4

Activity (Go SEA)

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

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