User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (7)

ZINC19872207

• 19872207

Physical Representations

Activity (Go SEA)

• 19872209
  

  Analogs

  19872685

  

  19872687

  

  45695125

  

  45695128

  

  19872207

  

  Popular Name: (1S)-1-[4-(4-phenylpiperazin-1-yl)phenyl]ethanamine (1S)-1-[4-(4-phenylpiperazin-1-y…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43188772
    • 28415320

  • Enamine BB Make on Demand

    • BBV-115258

  • UORSY BB Make-on-demand

    • BBV-37378590
    • BBV-115258

  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)	1.49	5.42	-46.91	3	3	1	34	282.411	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19872209
• 19872685
  

  Analogs

  19872687

  

  45695125

  

  45695128

  

  19872207

  

  Popular Name: (1R)-1-[4-(4-ethylpiperazin-1-yl)phenyl]ethanamine (1R)-1-[4-(4-ethylpiperazin-1-yl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43188892
    • 28415896

  • AKOS (make-on-demand)

    • AKOS000219605

  • Enamine BB Make on Demand

    • BBV-115388

  • UORSY BB Make-on-demand

    • BBV-37378864

  And 1 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)	0.17	5.06	-87.42	4	3	2	35	235.375	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.17	2.75	-45.36	3	3	1	34	234.367	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19872685
• 19872687
  

  Analogs

  19872207

  

  Popular Name: (1S)-1-[4-(4-ethylpiperazin-1-yl)phenyl]ethanamine (1S)-1-[4-(4-ethylpiperazin-1-yl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43188892
    • 28415898

  • AKOS (make-on-demand)

    • AKOS000219605

  • Enamine BB Make on Demand

    • BBV-115388

  • UORSY BB Make-on-demand

    • BBV-37378863

  And 1 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)	0.17	4.98	-87.63	4	3	2	35	235.375	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.17	2.61	-45.4	3	3	1	34	234.367	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19872687
• 45695125
  

  Analogs

  19872667

  

  19872669

  

  Popular Name: N-[4-[(1R)-1-aminoethyl]phenyl]-N',N'-dimethyl-N-propyl-ethane-1,2-diamine N-[4-[(1R)-1-aminoethyl]phenyl]-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 55190312
    • 61964356

  • Enamine BB Make on Demand

    • BBV-33664564

  • UORSY BB Make-on-demand

    • BBV-33664564
    • BBV-37380924

  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)	0.81	7.61	-85.52	4	3	2	35	251.418	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.81	5.13	-41.22	3	3	1	34	250.41	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45695125
• 45695128
  

  Analogs

  19872667

  

  19872669

  

  Popular Name: N-[4-[(1S)-1-aminoethyl]phenyl]-N',N'-dimethyl-N-propyl-ethane-1,2-diamine N-[4-[(1S)-1-aminoethyl]phenyl]-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61964356

  • Enamine BB Make on Demand

    • BBV-33664564

  • UORSY BB Make-on-demand

    • BBV-33664564
    • BBV-37380923

  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)	0.81	7.61	-86.55	4	3	2	35	251.418	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.81	5.13	-41.34	3	3	1	34	250.41	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45695128
• 2538759
  

  Analogs

  4343011

  

  19872207

  

  19872209

  

  19872685

  

  19872687

  

  Popular Name: Benzenemethanamine, alpha-methyl-4-(4-methyl-1-piperazinyl)- trihydrochloride Benzenemethanamine, alpha-methyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK352649

  • eMolecules

    • 24280944
    • 853732
    • 46471966

  • Molport

    • MolPort-000-891-931

  And 31 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)	-0.20	4.36	-86.01	4	3	2	35	221.348	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02538759
• 4343011
  

  Analogs

  19872207

  

  19872209

  

  19872685

  

  19872687

  

  34663771

  

  Popular Name: Benzenemethanamine, alpha-methyl-4-(4-methyl-1-piperazinyl)- trihydrochloride Benzenemethanamine, alpha-methyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK352649

  • eMolecules

    • 24280944
    • 853732
    • 46471966

  • Molport

    • MolPort-000-891-931

  And 29 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)	-0.20	4.37	-86.11	4	3	2	35	221.348	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04343011