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)

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Parameters Provided:

name.synonym = (CH3)2CHCH2CH2COCH3;2-hexanone-5-methyl;2-Methyl-5-Hexanone;5-Methyl-2-Hexanone;5-Methylhexan-2-one;5-Methylhexan-2-one [UN2302] [Flammable liquid];Isoamyl methyl ketone;Isobutylacetone;Isopentyl methyl ketone;Ketone, methyl isoamyl;Methyl isoamyl ketone
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 '(CH3)2CHCH2CH2COCH3;2-hexanone-5-methyl;2-Methyl-5-Hexanone;5-Methyl-2-Hexanone;5-Methylhexan-2-one;5-Methylhexan-2-one [UN2302] [Flammable liquid];Isoamyl methyl ketone;Isobutylacetone;Isopentyl methyl ketone;Ketone, methyl isoamyl;Methyl isoamyl ketone' 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

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//zinc12.docking.org/results/combination?name.synonym=%28CH3%292CHCH2CH2COCH3%3B2-hexanone-5-methyl%3B2-Methyl-5-Hexanone%3B5-Methyl-2-Hexanone%3B5-Methylhexan-2-one%3B5-Methylhexan-2-one+%5BUN2302%5D+%5BFlammable+liquid%5D%3BIsoamyl+methyl+ketone%3BIsobutylacetone%3BIsopentyl+methyl+ketone%3BKetone%2C+methyl+isoamyl%3BMethyl+isoamyl+ketone&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": "(CH3)2CHCH2CH2COCH3;2-hexanone-5-methyl;2-Methyl-5-Hexanone;5-Methyl-2-Hexanone;5-Methylhexan-2-one;5-Methylhexan-2-one [UN2302] [Flammable liquid];Isoamyl methyl ketone;Isobutylacetone;Isopentyl methyl ketone;Ketone, methyl isoamyl;Methyl isoamyl ketone" }); </script>