chemistry

ZINC database

ZINC database is a chemistry topic covered in the lgStudy science library. This page brings together a partial reference excerpt, illustrations, worked examples, real-world applications and a short study plan, so you can understand ZINC database rather than just read about it. In short: The ZINC database (recursive acronym: ZINC is not commercial) is a curated collection of commercially available chemical compounds prepared especially for virtual screening. ZINC is used by investigators (generally people with training as biologists or chemists) in pharmaceutical companies, biotechnology companies, and research universities.

Key takeaways

ZINC database belongs to chemistry; place it in that map before memorising details.
Learn the definition first, then one example that makes the definition concrete.
Connect ZINC database to a quantity you can measure, compute or draw — that is where exam questions come from.
Reproduce the core statement of ZINC database from memory before moving on to harder problems.

Reference excerpt

The ZINC database (recursive acronym: ZINC is not commercial) is a curated collection of commercially available chemical compounds prepared especially for virtual screening. ZINC is used by investigators (generally people with training as biologists or chemists) in pharmaceutical companies, biotechnology companies, and research universities.

Scope and access ZINC is different from other chemical databases because it aims to represent the biologically relevant, three dimensional form of the molecule.

Curation and updates ZINC is updated regularly and may be downloaded and used free of charge. It is developed by John Irwin in the Shoichet Laboratory in the Department of Pharmaceutical Chemistry at the University of California, San Francisco.

Version The latest release of the website interface is "ZINC-22". The database is continuously updated and as of 2023 is claimed to contain over 37 billion commercially available molecules.

Uses The database is typically used for molecule mining, a process in which Quantitative structure–activity relationships are used to find new compounds with improved biological activity, given a known starting point found, for example, by high-throughput screening.

See also PubChem a database of small molecules from the chemical and biological literature, hosted by NCBI ChEMBL, a database of information about medicinal chemistry and biological activities of small molecules. Ultra-large-scale docking

References

External links ZINC database

Worked examples

Example 1 — a first encounter with ZINC database

Start with the simplest possible case. Write down what ZINC database claims or describes in one sentence, then invent the smallest concrete situation in which that sentence is true. In chemistry, the smallest case is usually a single object, a single equation or a single measurement. Check that every symbol or term in your sentence has a meaning in that case.

Example 2 — changing one variable

Take the situation from Example 1 and change exactly one quantity: double it, halve it, or set it to zero. Predict what should happen to ZINC database before you calculate. Comparing your prediction with the result is the fastest way to find out whether you understand the idea or only the words.

Example 3 — an exam-style question

Typical questions about ZINC database ask you to (a) state it precisely, (b) apply it to given data, and (c) explain a limitation. Practise writing all three answers in under five minutes; the third part is what separates a full-mark answer from an average one.

Applications of ZINC database

In research: ZINC database appears in chemistry research whenever the underlying quantities have to be modelled precisely. Papers usually cite it as a starting assumption and then explore where it breaks down.
In technology and industry: Engineering practice reuses ZINC database in design rules, simulations and safety margins. Knowing the idea lets you read a specification sheet and understand why the numbers look the way they do.
In the classroom: ZINC database is common in secondary-school and first-year university syllabi. It links to neighbouring topics Biological databases, Chemical databases, so understanding it makes those chapters shorter.
In everyday life: Look for ZINC database outside the textbook — in sport, cooking, traffic, electronics or the sky above you. An example you found yourself is remembered far longer than one you were given.

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How to study ZINC database in 20 minutes

Read the reference excerpt below once, without taking notes.
Close the page and write down what ZINC database means in your own words.
Compare your version with the excerpt and mark what you missed.
Work through the three examples above with pen and paper.
Explain ZINC database out loud to somebody else — or to Teacher Smith in the lgStudy chat.

Frequently asked questions

What is ZINC database in simple terms?

Why does ZINC database matter?

Because it connects several chemistry ideas at once: it gives you a definition you can apply, a quantity you can calculate, and a way to check whether a result is plausible.

How should I study ZINC database?

Read the excerpt, restate it from memory, then work through the examples and applications listed on this page. The five-step study plan above takes about twenty minutes.

What does this page cover?

It gives you a compact reference excerpt plus original lgStudy explanations, examples, applications and study material on ZINC database.