UCSF

ZINC42806008

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 45 No

CAS Numbers: 6817-41-0 , [6817-41-0]

Download: MOL2 SDF SMILES Flexibase

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) 5.87 13.72 -114.7 4 8 2 86 612.767 9
Hi High (pH 8-9.5) 5.87 10.21 -16.36 2 8 0 84 610.751 9
Hi High (pH 8-9.5) 5.87 11.12 -73.62 1 8 -1 87 609.743 9
Mid Mid (pH 6-8) 5.87 11.96 -51.92 3 8 1 85 611.759 9
Mid Mid (pH 6-8) 5.87 11.98 -59.04 3 8 1 85 611.759 9

Vendor Notes

Note Type Comments Provided By
Target Inhibitor of nuclear factor kappa-B kinase subunit beta(O14920) Herbal Ingredients Targets

Activity (Go SEA)

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