ZINC26:Help: Difference between revisions
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ZINC26 provides interfaces to search purchasable chemical space and biologically active chemical space. | ZINC26 provides interfaces to search purchasable chemical space and biologically active chemical space. | ||
There are two separate interfaces, interactive (10s turnaround time) and batch (3 mins turnaround time if there is no queue). | |||
The interactive interface searches specific databases subsets you select, from a few to a few billion molecules each. The batch interface searches _all_ purchasable or _all_ bioactive databases in a single transaction. | |||
Anonymous users can search for one molecule at a time in the batch interface, while logged in users may search for up to 10 molecules in a single transaction. | |||
We throttle usage in other (so far undisclosed) ways that allow us to offer a free public service without overloading. | |||
Collectively, ZINC26 allows "what if" type searches of purchasable and biologically precedented chemical space. It allows the following questions. | |||
* what are the most similar molecules I can purchase? | |||
* what the most most similar molecules I can purchase from a particular vendor (within a particular HAC range)? | |||
* Does vendor X sell compounds that look like my compound? | |||
* what is the nearest drug to my compound? | |||
* what is the nearest chembl bioactive 1uM or better to my compound? | |||
* what is the nearest ligand for some gene product, say DRD4, 1uM or better, to my compound? | |||
* what is the nearest natural product to my compound? | |||
* what is the nearest metabolite to my compound? | |||
== Updates / Status == | == Updates / Status == | ||
* As of July 2, 2026, zinc26 is in production at zinc26.docking.org and zinc26dev.docking.org. If you cannot get in, write us at jjiteam at googlegroups dot com for access. | |||
* we have indexed most of the commercially available libraries that are distributed as enumerated libraries. Synthon based libraries will enumerated, but it takes time (ask the vendor to enumerate up to HAC29 and send it to us, and we will index it) | |||
* We are aiming to offer "all purchasable to HAC29" and "all bioactives" as one-click interactive databases. So far, we are not quiet there, but we are close. Use the batch interface until that is ready. It may turn out that we need to offer | |||
* all-purchasable-to-HAC25, and then one by one by HAC after that, in order to provide good interactive service. But we are trying to do it to HAC29. | |||
== how to report suggestions / problems == | == how to report suggestions / problems == | ||
Please use our usual form for reporting problems: https://forms.gle/LZV1FCmLWxUWznVi9 | |||
* Please send us catalogs that you do not see indexed. | |||
Latest revision as of 18:16, 2 July 2026
ZINC26 provides interfaces to search purchasable chemical space and biologically active chemical space.
There are two separate interfaces, interactive (10s turnaround time) and batch (3 mins turnaround time if there is no queue).
The interactive interface searches specific databases subsets you select, from a few to a few billion molecules each. The batch interface searches _all_ purchasable or _all_ bioactive databases in a single transaction.
Anonymous users can search for one molecule at a time in the batch interface, while logged in users may search for up to 10 molecules in a single transaction.
We throttle usage in other (so far undisclosed) ways that allow us to offer a free public service without overloading.
Collectively, ZINC26 allows "what if" type searches of purchasable and biologically precedented chemical space. It allows the following questions.
- what are the most similar molecules I can purchase?
- what the most most similar molecules I can purchase from a particular vendor (within a particular HAC range)?
- Does vendor X sell compounds that look like my compound?
- what is the nearest drug to my compound?
- what is the nearest chembl bioactive 1uM or better to my compound?
- what is the nearest ligand for some gene product, say DRD4, 1uM or better, to my compound?
- what is the nearest natural product to my compound?
- what is the nearest metabolite to my compound?
Updates / Status
- As of July 2, 2026, zinc26 is in production at zinc26.docking.org and zinc26dev.docking.org. If you cannot get in, write us at jjiteam at googlegroups dot com for access.
- we have indexed most of the commercially available libraries that are distributed as enumerated libraries. Synthon based libraries will enumerated, but it takes time (ask the vendor to enumerate up to HAC29 and send it to us, and we will index it)
- We are aiming to offer "all purchasable to HAC29" and "all bioactives" as one-click interactive databases. So far, we are not quiet there, but we are close. Use the batch interface until that is ready. It may turn out that we need to offer
- all-purchasable-to-HAC25, and then one by one by HAC after that, in order to provide good interactive service. But we are trying to do it to HAC29.
how to report suggestions / problems
Please use our usual form for reporting problems: https://forms.gle/LZV1FCmLWxUWznVi9
- Please send us catalogs that you do not see indexed.