User Information

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

ZINC34655286

• 34655286

Physical Representations

Activity (Go SEA)

• 9114770
  

  Analogs

  9114771

  

  34653815

  

  34653817

  

  34653842

  

  34653844

  

  Popular Name: 1-(4-phenylpiperazin-1-yl)-2-(p-tolylamino)propan-1-one 1-(4-phenylpiperazin-1-yl)-2-(p-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 11951888

  • Molport

    • MolPort-005-540-582

  • Enamine

    • Z123731002

  • Mcule

    • MCULE-9751222716

  • PubChem

    • 17416821

  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)	4.18	-2.35	-8.5	1	4	0	35	323.44	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC09114770
• 9114771
  

  Analogs

  34653815

  

  34653817

  

  34653842

  

  34653844

  

  34653850

  

  Popular Name: 1-(4-phenylpiperazin-1-yl)-2-(p-tolylamino)propan-1-one 1-(4-phenylpiperazin-1-yl)-2-(p-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 11951888

  • Molport

    • MolPort-005-540-582

  • Enamine

    • Z123731002

  • Mcule

    • MCULE-9751222716

  • PubChem

    • 17416821

  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)	4.18	-2.36	-8.49	1	4	0	35	323.44	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC09114771
• 19865395
  

  Analogs

  34653730

  

  34653752

  

  34653779

  

  34653786

  

  34653943

  

  Popular Name: 4-[4-(aminomethyl)phenyl]piperazin-2-one 4-[4-(aminomethyl)phenyl]piperaz…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 20227492

  • Molport

    • MolPort-020-166-188

  • Enamine Building Blocks

    • EN300-39236
    • EN300-74871

  • Molport BB

    • MolPort-004-370-891

  And 8 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)	0.69	-0.28	-52.5	4	4	1	60	206.269	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19865395
• 22220670
  

  Analogs

  31945397

  

  34654686

  

  34654692

  

  34654698

  

  34654701

  

  Popular Name: (2S)-N-[4-(aminomethyl)phenyl]-2-(isopropyl-methyl-amino)propanamide (2S)-N-[4-(aminomethyl)phenyl]-2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 30120449
    • 16791663

  • AKOS (make-on-demand)

    • AKOS000145565

  • Enamine BB Make on Demand

    • BBV-032141

  • UORSY BB Make-on-demand

    • BBV-032141

  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)	1.33	4.4	-84.85	5	4	2	61	251.374	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.33	2.29	-51.74	4	4	1	60	250.366	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC22220670
• 2022554
  

  Analogs

  34654453

  

  34654455

  

  34654481

  

  34654483

  

  34654489

  

  Popular Name: (2R)-2-[4-(p-tolyl)piperazin-1-ium-1-yl]propionamide (2R)-2-[4-(p-tolyl)piperazin-1-i…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • NCI Plated 2007

    • 88449

  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)	2.00	3.68	-36.7	3	4	1	51	248.35	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02022554
• 20313099
  

  Analogs

  34653815

  

  34653817

  

  34653842

  

  34653844

  

  34653850

  

  Popular Name: (2S)-N-tert-butyl-2-(p-tolylamino)propanamide (2S)-N-tert-butyl-2-(p-tolylamin…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 23384169

  • Molport

    • MolPort-005-223-529

  • Enamine

    • Z123730904

  • Mcule

    • MCULE-9841019108

  • PubChem

    • 28841163

  And 5 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)	3.53	5.23	-7.72	2	3	0	41	234.343	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20313099
• 20313095
  

  Analogs

  34653815

  

  34653817

  

  34653842

  

  34653844

  

  34653850

  

  Popular Name: (2R)-N-tert-butyl-2-(p-tolylamino)propanamide (2R)-N-tert-butyl-2-(p-tolylamin…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 23384169

  • Molport

    • MolPort-005-223-529

  • Enamine

    • Z123730904

  • Mcule

    • MCULE-9841019108

  • PubChem

    • 28841160

  And 5 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)	3.53	5.25	-7.75	2	3	0	41	234.343	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20313095