User Information

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

ZINC57308082

• 57308082

Physical Representations

Activity (Go SEA)

• 37782333
  

  Analogs

  49226164

  

  49226168

  

  49252458

  

  49252461

  

  49252548

  

  Popular Name: 1-[(2S)-2-[(2-hydroxyphenyl)methylamino]propyl]pyrrolidin-2-one 1-[(2S)-2-[(2-hydroxyphenyl)meth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 54865833

  • Enamine BB Make on Demand

    • BBV-32140158

  • UORSY BB Make-on-demand

    • BBV-32140158

  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)	1.52	4.55	-39.68	3	4	1	57	249.334	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.52	5.3	-31.48	2	4	0	60	248.326	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37782333
• 37782334
  

  Analogs

  49226164

  

  49226168

  

  49252458

  

  49252461

  

  49252548

  

  Popular Name: 1-[(2R)-2-[(2-hydroxyphenyl)methylamino]propyl]pyrrolidin-2-one 1-[(2R)-2-[(2-hydroxyphenyl)meth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 54865833

  • Enamine BB Make on Demand

    • BBV-32140158

  • UORSY BB Make-on-demand

    • BBV-32140158

  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)	1.52	4.46	-35.11	3	4	1	57	249.334	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.52	5.21	-34.15	2	4	0	60	248.326	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37782334