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• Vendors (0)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (3)

ZINC35474900

• 35474900

Physical Representations

Activity (Go SEA)

• 35474901
  

  Analogs

  35474900

  

  4346883

  

  Popular Name: (4S)-1-allyl-6-benzyl-4-(2,4,5-trimethylphenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (4S)-1-allyl-6-benzyl-4-(2,4,5-t…

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  Vendors

  • PubChem

    • 42790605

  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)	5.01	11.85	-16.81	1	5	0	53	401.51	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35474901
• 4346883
  

  Analogs

  7990994

  

  7990995

  

  7990996

  

  11665613

  

  11665614

  

  Popular Name: 8-benzyl-5-methyl-2-(2,4,5-trimethylphenyl)-3,5,8-triazabicyclo[4.3.0]non-10-ene-4,9-dione 8-benzyl-5-methyl-2-(2,4,5-trime…

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  Vendors

  • eMolecules

    • 7272248

  • Mcule

    • MCULE-9169748951

  • ChemDB

    • 6044876

  • PubChem

    • 4061568
    • 7202300

  And 1 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)	4.37	-0.41	-17.52	1	5	0	52	375.472	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04346883
• 4346884
  

  Analogs

  7990994

  

  7990995

  

  7990996

  

  11665613

  

  11665614

  

  Popular Name: 8-benzyl-5-methyl-2-(2,4,5-trimethylphenyl)-3,5,8-triazabicyclo[4.3.0]non-10-ene-4,9-dione 8-benzyl-5-methyl-2-(2,4,5-trime…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 7272248

  • Mcule

    • MCULE-9169748951

  • ChemDB

    • 6044876

  • PubChem

    • 4061568
    • 7202301

  And 1 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)	4.37	-0.45	-17.23	1	5	0	52	375.472	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04346884