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)

• 60254423

Parameters Provided:

name.synonym = AI3-00398; APEX 4; BRN 1792866; BS; Butyl octadecanoate; Butyl octadecylate; Butyl stearate; EINECS 204-666-5; Emerest 2325; Estrex 1B 54, 1B 55; FEMA No. 2214; FEMA Number 2214; Groco 5810; HSDB 942; Kessco BSC; Kesscoflex BS; LS-2608; NSC 4820; Octadeca
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 'AI3-00398; APEX 4; BRN 1792866; BS; Butyl octadecanoate; Butyl octadecylate; Butyl stearate; EINECS 204-666-5; Emerest 2325; Estrex 1B 54, 1B 55; FEMA No. 2214; FEMA Number 2214; Groco 5810; HSDB 942; Kessco BSC; Kesscoflex BS; LS-2608; NSC 4820; Octadeca' 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=AI3-00398%3B+APEX+4%3B+BRN+1792866%3B+BS%3B+Butyl+octadecanoate%3B+Butyl+octadecylate%3B+Butyl+stearate%3B+EINECS+204-666-5%3B+Emerest+2325%3B+Estrex+1B+54%2C+1B+55%3B+FEMA+No.+2214%3B+FEMA+Number+2214%3B+Groco+5810%3B+HSDB+942%3B+Kessco+BSC%3B+Kesscoflex+BS%3B+LS-2608%3B+NSC+4820%3B+Octadeca&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": "AI3-00398; APEX 4; BRN 1792866; BS; Butyl octadecanoate; Butyl octadecylate; Butyl stearate; EINECS 204-666-5; Emerest 2325; Estrex 1B 54, 1B 55; FEMA No. 2214; FEMA Number 2214; Groco 5810; HSDB 942; Kessco BSC; Kesscoflex BS; LS-2608; NSC 4820; Octadeca" }); </script>