User Information

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

ZINC36854240

• 36854240

Physical Representations

Activity (Go SEA)

• 37782293
  

  Analogs

  48708297

  

  60676975

  

  37466966

  

  37466968

  

  Popular Name: 1-[(2S)-2-(2-thienylmethylamino)propyl]pyrrolidin-2-one 1-[(2S)-2-(2-thienylmethylamino)…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60936526

  • Enamine BB Make on Demand

    • BBV-32140139

  • UORSY BB Make-on-demand

    • BBV-32140139

  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)	1.48	6.46	-41.45	2	3	1	37	239.364	5	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.48	5.05	-9.44	1	3	0	32	238.356	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37782293
• 37782294
  

  Analogs

  48708297

  

  60676975

  

  37466966

  

  37466968

  

  Popular Name: 1-[(2R)-2-(2-thienylmethylamino)propyl]pyrrolidin-2-one 1-[(2R)-2-(2-thienylmethylamino)…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60936526

  • Enamine BB Make on Demand

    • BBV-32140139

  • UORSY BB Make-on-demand

    • BBV-32140139

  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)	1.48	6.37	-35.45	2	3	1	37	239.364	5	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.48	5.28	-8.8	1	3	0	32	238.356	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37782294
• 45659298
  

  Analogs

  36851537

  

  36851536

  

  Popular Name: (3R)-1-isopropyl-3-(2-thienylmethylamino)pyrrolidine-3-carboxamide (3R)-1-isopropyl-3-(2-thienylmet…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61979171

  • Enamine BB Make on Demand

    • BBV-33660018

  • UORSY BB Make-on-demand

    • BBV-33660018

  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)	1.02	2.67	-34.38	4	4	1	60	268.406	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45659298
• 45659300
  

  Analogs

  36851537

  

  36851536

  

  Popular Name: (3S)-1-isopropyl-3-(2-thienylmethylamino)pyrrolidine-3-carboxamide (3S)-1-isopropyl-3-(2-thienylmet…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61979171

  • Enamine BB Make on Demand

    • BBV-33660018

  • UORSY BB Make-on-demand

    • BBV-33660018

  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)	1.02	2.72	-35.33	4	4	1	60	268.406	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45659300