Dear docking.org fans:
Our server was down early Monday morning. Service resumed approximately 6:30am San Francisco time.
We are grateful to the alert and kind ZINC users who brought this to our attention while we were sleeping.
We plan to release a version of ZINC that supports InChI and InChIkeys this fall. In the meantime, here are some fun youtube videos about InChI.
1. What on Earth is InChI?
2. The Birth of the InChI
3. The Googlable InChIKey
4. InChI and the Islands
Dear DOCK Blaster users
I am making some changes to DOCK Blaster today and tomorrow (May 28 and 29). I'm trying as much as possible to make these invisible, but it is a live system. Thus I'm posting this warning. If things seem broken (more broken than usual!) please wait an hour and try again. If still not working, please write me, being as specific as possible, and I'll do what I can to put it back the way it was before.
docking.org accounts are free and give you extra features in ZINC, DUDE and soon other programs. We try to approve them promptly, usually within 48 hours, often less. One person applied recently, and I goofed and deleted the account by accident, losing all the info. If you applied and did not get an approval letter, please try again, and accept my apologies for deleting you the first time. John
Better, faster, stronger.
Dear ZINC Fans
Enamine, http://enamine.net, the single biggest contributor to ZINC, just released an update of their REAL (make on demand) library this month. Naturally, like all vendor catalogs, we will update it promptly in ZINC. It will take a little time, however, since this catalog contains 25.5 million compounds. Among these, only 1.6 million have even partial stereochemistry specified. After stereochemical enumeration of up to four implied stereoisomers, this could easily result in over 50M new compounds in ZINC. Hurray!
Dear ZINC Fans
Prof. Jean-Louis Reymond and his student Mahendra Awale have generously arranged for an MQN browser of ZINC. A preliminary version of the "all purchasable" subset is now available.
The Reymond Group website: http://reymond.dcb.unibe.ch/
More about Molecular Quantum Numbers (MQN): http://reymond.dcb.unibe.ch/research/research.html#MQN
Dear DOCK Blaster Fans
DOCK Blaster has been broken for over a week due to my carelessness. It has now been fixed. Please accept my regrets, and my promise to try to do better going forward.
For those of you who alerted me to this, thank you! And sorry to be so slow!
Dear ZINC fans
We have updated a few other special libraries:
96. Zdd - ZINC Drug database - approved drugs you can buy as pure compounds - http://zinc.docking.org/subsets/zdd
104. Zim - ZINC in man database - compounds you can buy that have been in man - http://zinc.docking.org/subsets/zim
109. Znd - ZINC natural derivatives - chemical modifications of natural products. http://zinc.docking.org/subsets/znd
100. Zbb-now - building blocks for immediate delivery - http://zinc.docking.org/subsets/zbb-now