User Information

• Synonyms (0)
• Vendors (8)
• Annotations (6)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (4)

ZINC20354957

• 20354957

Physical Representations

Activity (Go SEA)

• 4952171
  

  Analogs

  20354955

  

  20354957

  

  4225572

  

  4225574

  

  Popular Name: 7-(2-methoxyethyl)-3-methyl-8-(morpholinomethyl)purine-2,6-dione 7-(2-methoxyethyl)-3-methyl-8-(m…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemBridge

    • 9021871

  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)	-1.21	3.15	-51.62	2	9	1	96	324.361	5	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	-1.21	3.58	-128.46	3	9	2	97	325.369	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04952171
• 4225572
  

  Analogs

  4952171

  

  12539093

  

  12539096

  

  12539098

  

  13133249

  

  Popular Name: 8-(dipropylaminomethyl)-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione 8-(dipropylaminomethyl)-7-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 7819447

  • PubChem

    • 7137201

  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)	0.70	-0.76	-48.9	2	8	1	86	338.432	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04225572
• 4225574
  

  Analogs

  4930402

  

  4952171

  

  9123784

  

  12532260

  

  12532261

  

  Popular Name: 8-(dipropylaminomethyl)-7-(2-ethoxyethyl)-3-methyl-purine-2,6-dione 8-(dipropylaminomethyl)-7-(2-eth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 7819449

  • PubChem

    • 7137205

  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)	1.07	-1.09	-49.85	2	8	1	86	352.459	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04225574
• 4225575
  

  Analogs

  4385790

  

  4385791

  

  4930402

  

  4930422

  

  13133249

  

  Popular Name: 8-[(butyl-ethyl-amino)methyl]-7-(2-ethoxyethyl)-3-methyl-purine-2,6-dione 8-[(butyl-ethyl-amino)methyl]-7-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 7819450

  • PubChem

    • 7137207

  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)	1.13	-1.03	-48.94	2	8	1	86	352.459	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04225575