User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (3)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (6)

ZINC45651366

• 45651366

Physical Representations

Activity (Go SEA)

• 51783214
  

  Analogs

  44721467

  

  44721470

  

  Popular Name: 2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1-pyrrolidin-1-yl-ethanone 2-[methyl-[(3R)-pyrrolidin-3-yl]…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Enamine BB Make on Demand

    • BBV-37188776

  • UORSY BB Make-on-demand

    • BBV-37188776

  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)	0.00	4.46	-111.71	3	4	2	41	213.325	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.00	3.01	-35.35	2	4	1	37	212.317	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.00	2.26	-44.51	2	4	1	40	212.317	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC51783214
• 51783216
  

  Analogs

  44721467

  

  44721470

  

  Popular Name: 2-[methyl-[(3S)-pyrrolidin-3-yl]amino]-1-pyrrolidin-1-yl-ethanone 2-[methyl-[(3S)-pyrrolidin-3-yl]…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Enamine BB Make on Demand

    • BBV-37188776

  • UORSY BB Make-on-demand

    • BBV-37188776

  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)	0.00	4.48	-109.13	3	4	2	41	213.325	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.00	3.06	-35.77	2	4	1	37	212.317	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.00	2.27	-43.65	2	4	1	40	212.317	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC51783216
• 42547338
  

  Analogs

  45649852

  

  45649854

  

  45651254

  

  45651256

  

  45651258

  

  Popular Name: N-methyl-2-[[(3R)-1-methylpyrrolidin-3-yl]amino]acetamide N-methyl-2-[[(3R)-1-methylpyrrol…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61462321

  • SureChEMBL

    • SCHEMBL14304899

  • Enamine BB Make on Demand

    • BBV-32903774

  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)	-0.15	0.35	-37.7	3	4	1	46	172.252	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	-0.15	-2.25	-8.21	2	4	0	44	171.244	3	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	-0.15	1.59	-108.81	4	4	2	50	173.26	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42547338
• 42547341
  

  Analogs

  45649852

  

  45649854

  

  45651254

  

  45651256

  

  45651258

  

  Popular Name: N-methyl-2-[[(3S)-1-methylpyrrolidin-3-yl]amino]acetamide N-methyl-2-[[(3S)-1-methylpyrrol…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61462321

  • SureChEMBL

    • SCHEMBL14304899

  • Enamine BB Make on Demand

    • BBV-32903774

  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)	-0.15	0.35	-38.67	3	4	1	46	172.252	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	-0.15	-2.28	-7.63	2	4	0	44	171.244	3	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	-0.15	1.52	-108.73	4	4	2	50	173.26	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42547341
• 44722833
  

  Analogs

  44722836

  

  44722839

  

  44722843

  

  44722850

  

  44722851

  

  Popular Name: 2-[[(3S)-1-cyclopropylpyrrolidin-3-yl]amino]-N-ethyl-acetamide 2-[[(3S)-1-cyclopropylpyrrolidin…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61849149

  • Enamine BB Make on Demand

    • BBV-33527650

  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)	0.60	2.67	-36.32	3	4	1	46	212.317	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.60	0.26	-7.35	2	4	0	44	211.309	5	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	0.60	3.85	-109.17	4	4	2	50	213.325	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC44722833
• 44722831
  

  Analogs

  44722833

  

  44722836

  

  44722839

  

  44722843

  

  44722850

  

  Popular Name: 2-[[(3R)-1-cyclopropylpyrrolidin-3-yl]amino]-N-ethyl-acetamide 2-[[(3R)-1-cyclopropylpyrrolidin…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61849149

  • Enamine BB Make on Demand

    • BBV-33527650

  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)	0.60	2.56	-36.88	3	4	1	46	212.317	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.60	0.23	-7.22	2	4	0	44	211.309	5	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	0.60	3.77	-109.37	4	4	2	50	213.325	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC44722831