CCL: DataBases



 Sent to CCL by: "Sofia Vasilakaki" [svasilak]-[chem.uoa.gr]
 Dear all,
 I would like to use a database of natural compounds from medicinal herbs
 and plans in order to perform substructure search or virtual screening. I
 have found some (super natural, gnps.ucsd.edu, nubbe.iq.unesp.br) but not
 enough info about each compound and no mol2 files available for download.
 I would appreciate it if you could share any links for similar databases.
 Also, could you suggest software tools like these in OpenEye and Maestro
 packages, for performing calculations of structures properties (pKa, rule
 of 5, ADME...)?
 Thank you!
 Kind Regards,
 Sofia V.