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• Synonyms (0)
• Vendors (5)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (7)

ZINC37782235

• 37782235

Physical Representations

Activity (Go SEA)

• 37853392
  

  Analogs

  37855426

  

  37855427

  

  37859029

  

  37859030

  

  37859031

  

  Popular Name: (2R)-2-(o-tolylmethylamino)-1-pyrrolidin-1-yl-propan-1-one (2R)-2-(o-tolylmethylamino)-1-py…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60647826

  • Enamine BB Make on Demand

    • BBV-32182029

  • UORSY BB Make-on-demand

    • BBV-32182029

  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)	1.98	5.91	-8.9	1	3	0	32	246.354	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37853392
• 49033966
  

  Analogs

  37782234

  

  Popular Name: 2,3-dimethyl-N-[(1S)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 2,3-dimethyl-N-[(1S)-1-methyl-2-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 47312039

  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)	2.02	7.13	-16.94	1	4	0	49	274.364	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49033966
• 49033968
  

  Analogs

  37782234

  

  Popular Name: 2,3-dimethyl-N-[(1R)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 2,3-dimethyl-N-[(1R)-1-methyl-2-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 47312039

  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)	2.02	7.17	-9.94	1	4	0	49	274.364	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49033968
• 49699594
  

  Analogs

  37782234

  

  Popular Name: 1-[(3S,5R)-4-benzyl-3,5-dimethyl-piperazin-1-yl]butan-1-one 1-[(3S,5R)-4-benzyl-3,5-dimethyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Otava (Virtual)

    • 2066530

  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)	3.05	6.76	-8.36	0	3	0	24	274.408	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.05	8.85	-41.91	1	3	1	25	275.416	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49699594
• 49699596
  

  Analogs

  37782234

  

  Popular Name: 1-[(3R,5R)-4-benzyl-3,5-dimethyl-piperazin-1-yl]butan-1-one 1-[(3R,5R)-4-benzyl-3,5-dimethyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Otava (Virtual)

    • 2066530

  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)	3.05	7.71	-7.61	0	3	0	24	274.408	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.05	9.65	-40.69	1	3	1	25	275.416	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49699596
• 32620329
  

  Analogs

  37781962

  

  37781963

  

  37781964

  

  37781965

  

  37782234

  

  Popular Name: benzyl-dimethyl-[2-(2-oxopyrrolidin-1-yl)ethyl]ammonium benzyl-dimethyl-[2-(2-oxopyrroli…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 23973746

  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)	-2.29	9.59	-37.53	0	3	1	20	247.362	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32620329
• 8052863
  

  Analogs

  37782234

  

  37782235

  

  Popular Name: N-(o-tolylmethyl)-2-(2-oxopyrrolidin-1-yl)-acetamide N-(o-tolylmethyl)-2-(2-oxopyrrol…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Otava (Virtual)

    • 4473911

  • PubChem

    • 9184102

  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)	1.47	5.77	-13.8	1	4	0	49	246.31	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC08052863