ZINC 12

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Format: Overview Compact Basic Summary Targets List Properties Purchasing Info Catalog Info SDF CAS SMILES MOL2 Flexibase ZINC Names Names+Smiles 800lb Gorilla MOL2 (e.g. PyMol) SDF (e.g. Chimera) SMILES (e.g. Marvin) Gorilla (e.g. Instant JChem) Representations: Default All Single Usual Metals Reference Mid High Low Purchasability: Purchasable In Stock or On Demand In Stock Only Make On Demand Boutique Not For Sale Annotated Model Systems Collabocules Everything Boutique (at any price)

• 895862

Parameters Provided:

name.synonym = 3-NP acid; 3-Nitropropanoic acid; 3-Nitropropionic Acid; 3-nitropropionate; BNP; BRN 1759889; C3H5NO4; CCRIS 454; EINECS 208-003-0; HSDB 4147; Hiptagenic acid; LS-1311; NCI-C03076; NITROPROPIONIC ACID, BETA; NSC 64266; Propanoic acid, 3-nitro-; Propionic
filter.purchasability = all
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN synonym AS syn ON (ci.cat_id_fk=syn.cat_fk AND ci.supplier_code=syn.supplier_code) INNER JOIN field AS f ON syn.field_fk=f.field_id  WHERE c.free = 1 AND syn.synonym IS NOT NULL AND syn.synonym LIKE '3-NP acid; 3-Nitropropanoic acid; 3-Nitropropionic Acid; 3-nitropropionate; BNP; BRN 1759889; C3H5NO4; CCRIS 454; EINECS 208-003-0; HSDB 4147; Hiptagenic acid; LS-1311; NCI-C03076; NITROPROPIONIC ACID, BETA; NSC 64266; Propanoic acid, 3-nitro-; Propionic' AND f.ftype IN (3,7,11,12,14) AND ci.sub_id_fk IN (SELECT ci.sub_id_fk AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id  WHERE c.free = 1   )    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?name.synonym=3-NP+acid%3B+3-Nitropropanoic+acid%3B+3-Nitropropionic+Acid%3B+3-nitropropionate%3B+BNP%3B+BRN+1759889%3B+C3H5NO4%3B+CCRIS+454%3B+EINECS+208-003-0%3B+HSDB+4147%3B+Hiptagenic+acid%3B+LS-1311%3B+NCI-C03076%3B+NITROPROPIONIC+ACID%2C+BETA%3B+NSC+64266%3B+Propanoic+acid%2C+3-nitro-%3B+Propionic&filter.purchasability=all

Embed Link to Results

<div id="zinc-link"></div> <script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script> <script type="text/javascript"> window.zinc.embed('zinc-link', { "name.synonym": "3-NP acid; 3-Nitropropanoic acid; 3-Nitropropionic Acid; 3-nitropropionate; BNP; BRN 1759889; C3H5NO4; CCRIS 454; EINECS 208-003-0; HSDB 4147; Hiptagenic acid; LS-1311; NCI-C03076; NITROPROPIONIC ACID, BETA; NSC 64266; Propanoic acid, 3-nitro-; Propionic" }); </script>