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)

• 1684
  

  Analogs

  388747

  

  Popular Name: 4-methoxyphenol 4-methoxyphenol

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STL199145

  • Vitas-M BB

    • BBL019135

  • eMolecules

    • 518971

  • Acros Organics

    • 12600
    • 23523

  And 188 More

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  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	1.52	0.92	-4.74	1	2	0	29	124.139	1	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00001684

Parameters Provided:

name.synonym = 1-Hydroxy-4-methoxybenzene; 4-Hydroxyanisole; 4-Methoxyphenol; AI3-00841; BMS 181158; C7H8O2; CCRIS 5531; EINECS 205-769-8; HQMME; HSDB 4258; HYDROQUINONE MONOMETHYL ETHER(SEE ALSO: HYDROQUINONE DIETHYL ETHER (CAS 150-78-7)); Hydroquinone monomethyl ether
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-Hydroxy-4-methoxybenzene; 4-Hydroxyanisole; 4-Methoxyphenol; AI3-00841; BMS 181158; C7H8O2; CCRIS 5531; EINECS 205-769-8; HQMME; HSDB 4258; HYDROQUINONE MONOMETHYL ETHER(SEE ALSO: HYDROQUINONE DIETHYL ETHER (CAS 150-78-7)); Hydroquinone monomethyl ether' 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-Hydroxy-4-methoxybenzene%3B+4-Hydroxyanisole%3B+4-Methoxyphenol%3B+AI3-00841%3B+BMS+181158%3B+C7H8O2%3B+CCRIS+5531%3B+EINECS+205-769-8%3B+HQMME%3B+HSDB+4258%3B+HYDROQUINONE+MONOMETHYL+ETHER%28SEE+ALSO%3A+HYDROQUINONE+DIETHYL+ETHER+%28CAS+150-78-7%29%29%3B+Hydroquinone+monomethyl+ether&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": "1-Hydroxy-4-methoxybenzene; 4-Hydroxyanisole; 4-Methoxyphenol; AI3-00841; BMS 181158; C7H8O2; CCRIS 5531; EINECS 205-769-8; HQMME; HSDB 4258; HYDROQUINONE MONOMETHYL ETHER(SEE ALSO: HYDROQUINONE DIETHYL ETHER (CAS 150-78-7)); Hydroquinone monomethyl ether" }); </script>