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)

• 1699905

Parameters Provided:

name.synonym = 1-Acetoxybutane;1-Butanol, acetate;1-Butyl acetate;1-Butylacetate;Acetic acid N-butyl ester;Acetic acid, butyl ester;Butyl acetate;Butyl ester of acetic acid;Butyl ethanoate;N-Butyl acetate;N-Butyl ethanoate;N-Butylacetate
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 '1-Acetoxybutane;1-Butanol, acetate;1-Butyl acetate;1-Butylacetate;Acetic acid N-butyl ester;Acetic acid, butyl ester;Butyl acetate;Butyl ester of acetic acid;Butyl ethanoate;N-Butyl acetate;N-Butyl ethanoate;N-Butylacetate' 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=1-Acetoxybutane%3B1-Butanol%2C+acetate%3B1-Butyl+acetate%3B1-Butylacetate%3BAcetic+acid+N-butyl+ester%3BAcetic+acid%2C+butyl+ester%3BButyl+acetate%3BButyl+ester+of+acetic+acid%3BButyl+ethanoate%3BN-Butyl+acetate%3BN-Butyl+ethanoate%3BN-Butylacetate&filter.purchasability=all

Embed Link to Results

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