ZINC26:Organization

In interactive mode (magnifying glass) there are four top levels into which all databases are organized.

• Bioactive - molecules with reported biological activity
• Purchasable - screening compounds you can buy
• Special - do not fit in other categories
• Synthons - reagents you can buy

The detailed breakdown of each of these is below.

Bioactive

• drugbank
• food
• hmdb
• inVitro-01uM (ChEMBL36)
• inVitro-03uM (ChEMBL36)
• inVitro-10uM (ChEMBL36)
• inVitro-30uM (ChEMBL36)
• natural
• metabolites
• otherdrugs
• other

Purchasable

• inStock-1 - preferred sources for inStock screening compounds (SC)
  • chemspace
  • chembridge
  • enamine
  • mcule
  • molport
  • sial

• inStock-2 - Other vendors
  • chemdiv
  • many many others

• onDemand-1 - our preferred sources for onDemand SC
  • Enamine M
  • Enamine S
  • OnePot
  • xtalPi
  • wuxi

• onDemand-2 - Other SC onDemand
  • others

Special

• Aggregators - so far only one "special" database, about 15,000 compounds. See advisor.docking.org
• Frontier - new libraries from Enamine and others
• Hartwig - current research
• Ellman - current research
• Commons - chemistry commons
• macrocycles - purchasable macrocycles
  • Sept 2026 - 200M - peptidic - Enamine

Synthons (Smallworld)

• inStock-1
  • Chembridge BB
  • Molport BB
  • ChemSpace BB
  • Enamine BB

• inStock-2

• onDemand
  • FastMADE 120M
  • MADE 1.9 B
  • MADE_2h - deuterium enriched. 85K

Synthons (Arthor)

• by_price category: USD: 50, 100, 250, 500, 1000, fastMADE, MADE
• by_role: functional group, role in Chemistry commons
• by_name: by name.

• • commons - chemistry commons
  • covalent - covalent
  • inStock
  • onDemand
• within bioactive: inVitro (e.g. ChEMBL), inVivo (e.g. drugs), natural (natural products, metabolites)

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