User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (9)

ZINC44656079

• 44656079

Physical Representations

Activity (Go SEA)

• 43445266
  

  Analogs

  43445267

  

  43445441

  

  43445547

  

  43445548

  

  43445695

  

  Popular Name: 1-butanol, 4-[(1-phenylethyl)amino]- 1-butanol, 4-[(1-phenylethyl)ami…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Aronis BB Make-on-demand

    • BLOCK29268

  • Otava (Virtual)

    • 1905302

  • PubChem

    • 63867961
    • 49962463

  • Enamine BB Make on Demand

    • BBV-33337100

  And 3 More

  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)	1.97	4.06	-40.05	3	2	1	37	194.298	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43445266
• 43445267
  

  Analogs

  43445441

  

  43445547

  

  43445548

  

  43445695

  

  43445696

  

  Popular Name: 1-butanol, 4-[(1-phenylethyl)amino]- 1-butanol, 4-[(1-phenylethyl)ami…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Aronis BB Make-on-demand

    • BLOCK29268

  • Otava (Virtual)

    • 1905302

  • PubChem

    • 49962463

  • Enamine BB Make on Demand

    • BBV-33337100
    • BBV-38042486

  And 2 More

  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)	1.97	4.07	-40.05	3	2	1	37	194.298	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43445267
• 20142637
  

  Analogs

  44656079

  

  44656082

  

  45656186

  

  45656188

  

  45656190

  

  Popular Name: 3-methoxy-N-[(1S)-1-(4-propylphenyl)ethyl]propan-1-amine 3-methoxy-N-[(1S)-1-(4-propylphe…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43205114
    • 28674019

  • Enamine BB Make on Demand

    • BBV-171403

  • UORSY BB Make-on-demand

    • BBV-171403

  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)	3.62	8.03	-40.46	2	2	1	26	236.379	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20142637
• 20142635
  

  Analogs

  44656079

  

  44656082

  

  45656186

  

  45656188

  

  45656190

  

  Popular Name: 3-methoxy-N-[(1R)-1-(4-propylphenyl)ethyl]propan-1-amine 3-methoxy-N-[(1R)-1-(4-propylphe…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43205114
    • 28674015

  • Enamine BB Make on Demand

    • BBV-171403

  • UORSY BB Make-on-demand

    • BBV-171403

  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)	3.62	8.03	-40.49	2	2	1	26	236.379	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20142635
• 21016905
  

  Analogs

  44656079

  

  44656082

  

  45663264

  

  45665240

  

  45665242

  

  Popular Name: N-[(1R)-1-(4-propylphenyl)ethyl]butan-1-amine N-[(1R)-1-(4-propylphenyl)ethyl]…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43102328
    • 29275998

  • Enamine BB Make on Demand

    • BBR-035872

  • UORSY BB Make-on-demand

    • BBR-035872

  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)	4.80	9.75	-38.1	2	1	1	17	220.38	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21016905
• 21016900
  

  Analogs

  21016905

  

  44656079

  

  44656082

  

  45663264

  

  45665240

  

  Popular Name: N-[(1S)-1-(4-propylphenyl)ethyl]butan-1-amine N-[(1S)-1-(4-propylphenyl)ethyl]…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43102328
    • 29275996

  • Enamine BB Make on Demand

    • BBR-035872

  • UORSY BB Make-on-demand

    • BBR-035872

  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)	4.80	9.73	-38.08	2	1	1	17	220.38	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21016900
• 37948060
  

  Analogs

  44655402

  

  44655405

  

  44655967

  

  44655970

  

  44656079

  

  Popular Name: (1R)-4-methoxy-1-phenyl-N-propyl-butan-1-amine (1R)-4-methoxy-1-phenyl-N-propyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60995269

  • Enamine BB Make on Demand

    • BBV-32843429

  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)	2.18	7.23	-37.67	2	2	1	26	222.352	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37948060
• 37948059
  

  Analogs

  44655402

  

  44655405

  

  44655967

  

  44655970

  

  44656079

  

  Popular Name: (1S)-4-methoxy-1-phenyl-N-propyl-butan-1-amine (1S)-4-methoxy-1-phenyl-N-propyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60995269

  • Enamine BB Make on Demand

    • BBV-32843429

  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)	2.18	7.2	-37.65	2	2	1	26	222.352	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37948059
• 20142599
  

  Analogs

  21788087

  

  21788091

  

  21792779

  

  21792782

  

  21796604

  

  Popular Name: (1R)-N-(3-methoxypropyl)-1-(p-tolyl)propan-1-amine (1R)-N-(3-methoxypropyl)-1-(p-to…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43205105
    • 28673953

  • Enamine BB Make on Demand

    • BBV-171394

  • UORSY BB Make-on-demand

    • BBV-171394

  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)	2.36	7.06	-41.07	2	2	1	26	222.352	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20142599