Drugs

From DISI
Jump to: navigation, search

We're going to find out about drugs in ZINC15.

First, browse to ZINC15:

http://zinc15.docking.org

Next, select substances (drugs are substances)

http://zinc15.docking.org/substances

Then, click on subsets (drugs are a subset of substances)

http://zinc15.docking.org/substances/subsets

Now, click on "fda" in the top left (you could also try world)

http://zinc15.docking.org/substances/subsets/fda

Now click on purchasable in the query refinement bar

http://zinc15.docking.org/substances/subsets/fda+purchasable

Which drugs are also metabolites?

http://zinc15.docking.org/substances/subsets/fda+endogenous

Which drugs are also natural products?

http://zinc15.docking.org/substances/subsets/fda+biogenic

Which drugs are not for sale?

http://zinc15.docking.org/substances/subsets/fda+not-purchasable

Which drugs hit beta-1 ADRB2?

Which drugs are for cancer?

Which drugs hit transporters?

Which drugs can you have delivered in 2 weeks?

Which drugs do not contain a phenyl ring?

Which drugs have csp3fraction of over 90%?

Which drugs are fragment like? mwt < 250

Which drugs are very polar and soluble (logP < 0)

Which drugs have more than 10 rotatable bonds?

Which drugs have PAINS?

Which drugs have no rings?

Do any drugs have no nitrogen atoms?

Do any drugs have no oxygen atoms?

How many drugs have sulfur atoms?

how many drugs have three fused rings?