User Information

• Synonyms (0)
• Vendors (6)
• Annotations (2)
• Representations (2)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (6)

ZINC13940400

• 13940400

Physical Representations

Activity (Go SEA)

• 36157483
  

  Analogs

  36157487

  

  36157490

  

  9057217

  

  9057219

  

  9057220

  

  Popular Name: (4S,5S)-1,7-dibenzyl-3-methyl-8-[[(2S)-tetrahydrofuran-2-yl]methylamino]-4,5-dihydropurine-2,6-dione (4S,5S)-1,7-dibenzyl-3-methyl-8-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK021764

  • eMolecules

    • 8598512

  • Molport

    • MolPort-002-931-521

  • Mcule

    • MCULE-8307812072

  • ChemDB

    • 5817439

  And 5 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)	2.14	11.88	-9.04	1	8	0	77	447.539	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36157483
• 36157487
  

  Analogs

  36157490

  

  9057217

  

  9057219

  

  9057220

  

  36157483

  

  Popular Name: (4R,5R)-1,7-dibenzyl-3-methyl-8-[[(2S)-tetrahydrofuran-2-yl]methylamino]-4,5-dihydropurine-2,6-dione (4R,5R)-1,7-dibenzyl-3-methyl-8-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK021764

  • eMolecules

    • 8598512

  • Molport

    • MolPort-002-931-521

  • Mcule

    • MCULE-8307812072

  • ChemDB

    • 5817439

  And 5 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)	2.14	11.88	-8.4	1	8	0	77	447.539	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36157487
• 36157490
  

  Analogs

  9057217

  

  9057219

  

  9057220

  

  36157483

  

  Popular Name: (4S,5R)-1,7-dibenzyl-3-methyl-8-[[(2S)-tetrahydrofuran-2-yl]methylamino]-4,5-dihydropurine-2,6-dione (4S,5R)-1,7-dibenzyl-3-methyl-8-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK021764

  • eMolecules

    • 8598512

  • Molport

    • MolPort-002-931-521

  • Mcule

    • MCULE-8307812072

  • ChemDB

    • 5817439

  And 5 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)	2.14	11.07	-7.87	1	8	0	77	447.539	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36157490
• 9057217
  

  Analogs

  9057219

  

  9057220

  

  13940400

  

  13940401

  

  13940402

  

  Popular Name: 1,7-dibenzyl-3-methyl-8-(tetrahydrofuran-2-ylmethylamino)-4,5-dihydropurine-2,6-dione 1,7-dibenzyl-3-methyl-8-(tetrahy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK021764

  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)	2.14	-3.06	-38.06	2	8	1	79	448.547	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC09057217
• 9057219
  

  Analogs

  9057220

  

  13940400

  

  13940401

  

  13940402

  

  36157483

  

  Popular Name: 1,7-dibenzyl-3-methyl-8-(tetrahydrofuran-2-ylmethylamino)-4,5-dihydropurine-2,6-dione 1,7-dibenzyl-3-methyl-8-(tetrahy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK021764

  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)	2.14	-2.92	-37.28	2	8	1	79	448.547	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC09057219
• 9057220
  

  Analogs

  13940400

  

  13940401

  

  13940402

  

  36157483

  

  36157487

  

  Popular Name: 1,7-dibenzyl-3-methyl-8-(tetrahydrofuran-2-ylmethylamino)-4,5-dihydropurine-2,6-dione 1,7-dibenzyl-3-methyl-8-(tetrahy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK021764

  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)	2.14	-3.66	-36	2	8	1	79	448.547	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC09057220