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)

• 3875751

Parameters Provided:

name.synonym = 3 PS; 3PS; AI3-00671; Adipic acid, dibutyl ester; BRN 1790739; Butyl adipate; Cetiol B; Di-butyl adipate; Di-n-butyl adipate; Dibutyl adipate; Dibutyl hexanedioate; Dibutylester kyseliny adipove [Czech]; EINECS 203-350-4; Experimental tick repellent 3; Ex
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 PS; 3PS; AI3-00671; Adipic acid, dibutyl ester; BRN 1790739; Butyl adipate; Cetiol B; Di-butyl adipate; Di-n-butyl adipate; Dibutyl adipate; Dibutyl hexanedioate; Dibutylester kyseliny adipove [Czech]; EINECS 203-350-4; Experimental tick repellent 3; Ex' 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+PS%3B+3PS%3B+AI3-00671%3B+Adipic+acid%2C+dibutyl+ester%3B+BRN+1790739%3B+Butyl+adipate%3B+Cetiol+B%3B+Di-butyl+adipate%3B+Di-n-butyl+adipate%3B+Dibutyl+adipate%3B+Dibutyl+hexanedioate%3B+Dibutylester+kyseliny+adipove+%5BCzech%5D%3B+EINECS+203-350-4%3B+Experimental+tick+repellent+3%3B+Ex&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 PS; 3PS; AI3-00671; Adipic acid, dibutyl ester; BRN 1790739; Butyl adipate; Cetiol B; Di-butyl adipate; Di-n-butyl adipate; Dibutyl adipate; Dibutyl hexanedioate; Dibutylester kyseliny adipove [Czech]; EINECS 203-350-4; Experimental tick repellent 3; Ex" }); </script>