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)

• 2047002
  

  Analogs

  34530941

  

  34819334

  

  34819336

  

  Popular Name: DNC014319 DNC014319

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Synchem UG and Co KG

    • a152

  • Toronto Research Chemicals

    • E600100

  • ChemMol

    • 51501078

  • BindingDB.org

    • 50316222

  • ChEMBL12

    • CHEMBL1095280

  And 14 More

  Draw Identity 99% 90% 80% 70%

  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)	-1.74	-6.79	-52.29	4	9	-1	150	252.21	4	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	-4.74	-6.65	-56.92	5	9	0	152	253.218	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02047002
• 3872189
  

  Analogs

  34530941

  

  34819334

  

  34819336

  

  Popular Name: D-erythro-Eritadenine D-erythro-Eritadenine

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 3966218

  • HMDB Endogenous

    • HMDB29895

  • HMDB Food

    • HMDB29895

  • Human Metabolome Database

    • HMDB29895

  • PubChem

    • 11107850

  And 2 More

  Draw Identity 99% 90% 80% 70%

  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)	-1.74	-6.81	-52.15	4	9	-1	150	252.21	4	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	-4.74	-6.58	-57.27	5	9	0	152	253.218	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC03872189
• 3872190
  

  Analogs

  34530941

  

  34819334

  

  34819336

  

  Popular Name: D-erythro-Eritadenine D-erythro-Eritadenine

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 3966218

  • HMDB Endogenous

    • HMDB29895

  • HMDB Food

    • HMDB29895

  • Human Metabolome Database

    • HMDB29895

  • PubChem

    • 6480509

  And 2 More

  Draw Identity 99% 90% 80% 70%

  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)	-1.74	-6.95	-53.91	4	9	-1	150	252.21	4	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	-4.74	-6.81	-57.14	5	9	0	152	253.218	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC03872190
• 3872191
  

  Analogs

  34530941

  

  34819334

  

  34819336

  

  Popular Name: D-Eritadenine D-Eritadenine

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 3966218

  • DrugBank-experimental

    • DB03769

  • HMDB Endogenous

    • HMDB29895

  • HMDB Food

    • HMDB29895

  • Human Metabolome Database

    • HMDB29895

  And 4 More

  Draw Identity 99% 90% 80% 70%

  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)	-1.74	-6.96	-51.88	4	9	-1	150	252.21	4	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	-4.74	-6.73	-57.99	5	9	0	152	253.218	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC03872191

Parameters Provided:

name.synonym = 4-(6-Amino-9H-purin-9-yl)-4-deoxy-D-Erythronic acid;6-Amino-alpha,beta-dihydroxy-9H-purine-9-butanoic acid;D-4-(6-Amino-9H-purin-9-yl)-4-deoxyerythronic acid;D-Eritadenine;D-Erythro-form;DEA;Eritadenine;Lentinacin;Lentysine
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 '4-(6-Amino-9H-purin-9-yl)-4-deoxy-D-Erythronic acid;6-Amino-alpha,beta-dihydroxy-9H-purine-9-butanoic acid;D-4-(6-Amino-9H-purin-9-yl)-4-deoxyerythronic acid;D-Eritadenine;D-Erythro-form;DEA;Eritadenine;Lentinacin;Lentysine' 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=4-%286-Amino-9H-purin-9-yl%29-4-deoxy-D-Erythronic+acid%3B6-Amino-alpha%2Cbeta-dihydroxy-9H-purine-9-butanoic+acid%3BD-4-%286-Amino-9H-purin-9-yl%29-4-deoxyerythronic+acid%3BD-Eritadenine%3BD-Erythro-form%3BDEA%3BEritadenine%3BLentinacin%3BLentysine&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": "4-(6-Amino-9H-purin-9-yl)-4-deoxy-D-Erythronic acid;6-Amino-alpha,beta-dihydroxy-9H-purine-9-butanoic acid;D-4-(6-Amino-9H-purin-9-yl)-4-deoxyerythronic acid;D-Eritadenine;D-Erythro-form;DEA;Eritadenine;Lentinacin;Lentysine" }); </script>