Since the first high-throughput screening attempts, more and more new rules for compound selection are emerging. Their main goal is to focus on valuable chemical space to achieve better results using fewer resources.
A good starting point might be focusing on the lead-like chemical space: lead-like molecules can be potent hits as well as have a good development profile. Such compound libraries are designed using a set of physicochemical parameters, which are described in detail in the attached PDF file.
Our three Lead-Like Diversity Sets were created to cover the same chemical space, but they consist of different compounds and vary in price.
Set A is the most affordable option, then the price gradually increases in Sets B and C. We did this for your convenience: to help research projects with limited budgets to have access to the best compound choices on the market. We also specially assembled them to drastically decrease the time of order procession and delivery.
Each set is comprised of 10 thousand diversified molecules and is available for download. You can order compounds from different sets as well.
| PhysChem Profile | |||
|---|---|---|---|
| Min | Max | Median | |
| 7 | Heavy Atoms count | 36 | 21 |
| 94 | MW | 514 | 308 |
| -6.9 | SlogP | 5.4 | 2.3 |
| 0 | HBA count | 10 | 4 |
| 0 | HBD count | 6 | 1 |
| 0 | RB count | 10 | 4 |
| 0.0 | fsp3 | 1.0 | 0.4 |
| 3 | TPSA | 205 | 63 |
