Chemical library

Our chemical library contains 900 fragments

MW2 logP2nb-ring2HA2nb_HeteA2


Fragment library analysis was performed by Ben Perry (ww.aidd.ch)using Knime data analysis (www.knime.org) and Vortex visualisation software(www.dotmatics.com)

AIDD

IK_PCA_sourcesIK_PCA_3DIK_VABC_HybRatioIK_Rings_RotBondsIK_MW_AlogP[1]IK_HBD_HBA[1]

 

  • Molecular weight: min= 80 Da, max= 300 Da, mean= 170 Da
  • Log P: min= -3, max= 3.5, mean= 1.25
  • Number of rings: min= 1, max= 3, mean= 1.8
  • Number of hetero-atoms: min= 1, max= 8, mean= 3
  • Number of heavy atoms: min= 6, max= 22, mean= 13.3

All fragments are selected from

Compagnies:    

Maybridge      Maybridge

Sigma      Sigma-Aldrich

Edelris     edelris

Academic labs:

ICBMS Lyon1 University    ICBMS

CERMN Caen Universitycermn

B2MCCreated with GIMP on a Mac