Choose your plan
Confused about which plan to choose?
Tell us what kind of projects you are working on and we'll let you know which package would best fit your needs.
Do you need a customized solution?
Contact us, if you need a special plan with customized tools and limits. Our consultants will be happy to discuss your special requirements and can prepare a customized solution that perfectly matches your needs.
Academic discount
We offer very attractive pricing plans for academic users. If you apply for an academic subscription, we need to review your status and check if you are eligible for the academic discounts. This review process typically takes 1-2 business days. If your academic status gets approved you will get access to all academic benefits.
Questions? Concerns? Contact us at [javascript protected email address].
Physicochemical properties
Physicochemical properties critically affect pharmacokinetic and pharmacodynamic properties of ligands. For example, high logP (> 5) and molecular weight (> 500 g/mol) are typically associated with unsuitable ADMET profile. Presence of adequately charged functional groups in the ligand can be critical for high-affinity binding. Careful selection of physicochemical properties is therefore crucial for the identification of hits suitable for further drug development.
The free plan provides access to physicochemical properties calculated by open-source tools.
In custom plans we can grant you access to about 40 properties (incl. pKa, logP, logD) calculated by the widely used Calculator Plugins of Chemaxon, which have been developed and optimized for many years and the calculated physicochemical properties show excellent correlation with experimental results. The properties are calculated with default parameters and they cover many properties that are available from the Calculator Plugins of Chemaxon. You can filter the mcule database by these properties and export the properties together with the molecules.
More information about Chemaxon Calculator Plugins:
https://docs.chemaxon.com/display/docs/calculator-plugins-user-s-guide.md
Docking package
Molecular docking is an approach that predicts the binding orientation of one small molecule at the binding site of a macromolecule and estimates the free energy of binding. Docking therefore plays a critical role in structure-based drug design projects, where the binding affinity of thousands or even millions of compounds should be assessed to identify potent inhibitors or activators of therapeutically relevant macromolecules, such as receptors, enzymes and ion channels.
The Vina docking algorithm has been developed by Oleg Trott et al. [Trott O, Olson AJ. J. Comput. Chem. 2010, 31, 455-61] and its robustness and high accuracy made it one of the most frequently used docking tools. Large-scale docking calculations and the necessary IT infrastructure, data storage and management are all included in the Docking package.
More information about the Docking package: http://doc.mcule.com/doku.php?id=dockingvina
Procurement plus
Compound procurement from multiple sources is typically not a trivial task, but we make it easy for our users. Our extremely fast and easy-to-use web interface helps to find chemicals in no time and your selected compounds will be delivered to you as a single package.
The Product filter enables to filter the mcule database by stock availability, price, delivery time, chemical suppliers, catalogs, minimum purity, etc. Filtered subsets of the mcule database that are available for quick delivery can serve as input collections for virtual screening campaigns with strict deadlines. Subsets filtered by certain price and purity criteria might be particularly useful for the expansion of in-house compound decks.
The Instant quote feature generates price quotes including delivery times on-the-fly for a selected set of compounds. This feature makes a very large impact on compound procurement as it makes the process fully online and automatic. It also allows price optimization as the effect of including / excluding particular compounds and modifying delivery parameters become transparent.
More information about the Product filter: http://doc.mcule.com/doku.php?id=productfilter
Instant Quote
Instant Quote is a fully automated, customizable, online solution for screening compound selection, quote calculation, ordering and shipment tracking. It eliminates unnecessary e-mail communications. It utilizes our unique algorithm which calculates the best price and fastest delivery quotes by comparing and optimizing compound prices, supplier discounts, small order fees, delivery costs, customs duties and reformatting options. It allows the user to exclude compounds based on their effective price, and it recalculates the quote on-the-fly. Instant Quote reduces screening compound sourcing costs especially for large orders where manual optimization is not possible (many suppliers, different price schemes, delivery options, etc.). Additionally, the elimination of e-mail communication saves valuable time of scientists and procurement managers.
All plans include Instant Quote.
Product filter
Product filter enables to filter the mcule database by stock availability, price, delivery time, chemical suppliers, catalogs, minimum purity, etc. Filtered subsets of the mcule database that are available for quick delivery can serve as input collections for virtual screening campaigns with strict deadlines. Subsets filtered by certain price and purity criteria might be particularly useful for the expansion of in-house compound decks.
