We have prepared the entire ZINC 15 library (version of August 2018), containing around 1.2 billion compounds, into the VirtualFlow format, It can be directly used by VirtualFlow for Virtual Screening (VFVS).

The entire database can be downloaded by running the following command in a terminal:

wget -r -nH --cut-dirs=2 --no-parent --reject="index.html*" https://sharehost.hms.harvard.edu/bcmp/wagner_lab/virtualflow/zinc15_20180825_pdbqt_tar

Soon also an interactive interface will be available, similar as for the REAL database. 

 

We would like to thank Prof. John Irwin at UCSF for giving us the permission to share the VirtualFlow version of the ZINC 15 database. If you use the VirtualFlow version of the ZINC 15 database and publish results based on its usage, please cite the original publication of the ZINC 15 library:

Sterling, T., & Irwin, J. J. (2015). ZINC 15 – Ligand Discovery for Everyone. Journal of Chemical Information and Modeling, 55(11), 2324–2337. https://doi.org/10.1021/acs.jcim.5b00559