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Phase III+: The University is open for expanded research operations; only authorized personnel will be admitted on campus. More info here.
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Phase III+: The University is open for expanded research operations; only authorized personnel will be admitted on campus. More info here.
!
Phase III+: The University is open for expanded research operations; only authorized personnel will be admitted on campus. More info here.

Compound Library

The DDRC curates and annotates a small molecule library containing 420,000 natural products, low molecular weight screening compounds, pharmacologically active compounds, clinically used compounds and compound fragments.

Property Measurements

434,166 compounds = N (Jan 2022) mean sd min max median
Number of Rotatable Bonds 4.7 1.9 0 43 5
Molecular Weight 354 64 7 2554 351
Polar Surface Area 79.5 27 0 1000 78
log Solubility (m/L) -4.8 1.7 -21 4 -4.8
log partition coefficent 3.1 1.5 -13.2 20 3.1
Number of H-bond Acceptors 4.2 1.4 0 51 4
Number of H bond Donors 1.01 0.8 0 36 1
Quantitative Estimate of Drug-likeness (QED) 0.72 0.14 0 0.96 0.76
Formal Charge 0.0 0.005 -3 3 0
fraction of sp3 hybridized carbons 0.37 0.19 0 1 0.35
Heavy Atom count 25.9 4.7 1 209 25.1

Screening Libraries

420,000 diverse, drug-like molecules with potential for lead-optimization

Compound/Drug Repurposing Libraries

Our repurposing compound libraries consist of  9747 samples representing 7043 compounds. These compounds are well-suited for studies of drug re-purposing, tool compound re-purposing and target identification. This collection contains 1294 legally approved drugs from Japan, Europe and North America; 756 investigational drugs which have been tested in clinical trials; 4937 pre-clinical compounds which appear in peer-reviewed published research or patents.

Fragment-based Screening Libraries
1056 compound fragments with measured solubility

Initiating a Project
If you are interested in setting up a drug discovery project or utilizing our instruments please contact ddrc@rockefeller.edu. Assay development and screening typically require a significant financial and time commitment and advance discussions are needed to prepare for the project. This resource center is a shared facility supported by Weill-Cornell Medical College and Rockefeller University, and we welcome clients from those institutions. Due to a high demand for our services, we can accept projects from outside institutions only on a case-by-case basis.  The DDRC does not currently support research in conjunction with for-profit entities.