UCSF

ZINC94437760

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) -0.40 5.95 -153.94 6 12 -2 233 623.769 25
Hi High (pH 8-9.5) -0.40 6.14 -193.77 5 12 -3 232 622.761 25
Hi High (pH 8-9.5) -0.40 5.67 -169.78 5 12 -3 232 622.761 25
Lo Low (pH 4.5-6) -0.40 4.33 -122.01 7 12 -1 231 624.777 25
Lo Low (pH 4.5-6) -0.40 3.89 -105.61 7 12 -1 231 624.777 25

Activity (Go SEA)

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

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