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• Synonyms (0)
• Vendors (1)
• Annotations (2)
• Representations (2)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (4)

ZINC33515376

• 33515376

Physical Representations

Activity (Go SEA)

• 41544637
  

  Analogs

  41544640

  

  41544645

  

  41544717

  

  41544720

  

  41544576

  

  Popular Name: (2R)-3-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-2-(p-tolyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-on (2R)-3-(1,3-benzodioxole-5-carbo…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 52157631

  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)	3.15	9.86	-66.99	1	7	0	83	434.492	6	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	3.15	9.11	-48.6	2	7	1	81	435.5	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC41544637
• 41544640
  

  Analogs

  41544645

  

  41544576

  

  41544579

  

  41544637

  

  Popular Name: (2S)-3-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-2-(p-tolyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-on (2S)-3-(1,3-benzodioxole-5-carbo…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 52157633

  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)	3.15	10.28	-70.82	1	7	0	83	434.492	6	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	3.15	9.53	-53.59	2	7	1	81	435.5	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC41544640
• 41544865
  

  Analogs

  41544868

  

  41544875

  

  41544807

  

  41544810

  

  33515425

  

  Popular Name: (2R)-3-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2-(p-tolyl)-2H-pyrrol-5-one (2R)-3-(1,3-benzodioxole-5-carbo…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 52157783

  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)	3.65	10.57	-65.97	1	7	0	83	448.519	6	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	3.65	9.82	-48.31	2	7	1	81	449.527	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC41544865
• 41544868
  

  Analogs

  41544875

  

  41544807

  

  41544810

  

  41544865

  

  Popular Name: (2S)-3-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2-(p-tolyl)-2H-pyrrol-5-one (2S)-3-(1,3-benzodioxole-5-carbo…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 52157785

  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)	3.65	10.99	-70.74	1	7	0	83	448.519	6	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	3.65	10.24	-54.24	2	7	1	81	449.527	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC41544868