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)

• 1529768
• 1529769

Parameters Provided:

name.synonym = 1-hexanoate; 1-pentacarboxylate; 1-pentanecarboxylate; butylacetate; caproate; capronate; Ethyl 3-hydroxyhexanoate; ethyl hydroxy-3-hexanoate; hexoate; hexylate; n-caproate; n-hexanoate; n-hexoate; n-hexylate; nPnCO2 anion; pentanecarboxylate; pentylforma
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-hexanoate; 1-pentacarboxylate; 1-pentanecarboxylate; butylacetate; caproate; capronate; Ethyl 3-hydroxyhexanoate; ethyl hydroxy-3-hexanoate; hexoate; hexylate; n-caproate; n-hexanoate; n-hexoate; n-hexylate; nPnCO2 anion; pentanecarboxylate; pentylforma' 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=1-hexanoate%3B+1-pentacarboxylate%3B+1-pentanecarboxylate%3B+butylacetate%3B+caproate%3B+capronate%3B+Ethyl+3-hydroxyhexanoate%3B+ethyl+hydroxy-3-hexanoate%3B+hexoate%3B+hexylate%3B+n-caproate%3B+n-hexanoate%3B+n-hexoate%3B+n-hexylate%3B+nPnCO2+anion%3B+pentanecarboxylate%3B+pentylforma&filter.purchasability=all

Embed Link to Results

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