User Information

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

ZINC31978085

• 31978085

Physical Representations

Activity (Go SEA)

• 19728650
  

  Analogs

  31977866

  

  31977867

  

  31977871

  

  31978081

  

  31978084

  

  Popular Name: 1-[3-(4-ethylphenoxy)propyl]piperazine 1-[3-(4-ethylphenoxy)propyl]pipe…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 2429176

  • Molport

    • MolPort-002-233-751

  • ChemBridge

    • 7013960

  • Mcule

    • MCULE-8114231551

  • Otava (Virtual)

    • 1203903

  And 7 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)	2.51	5.36	-41.06	2	3	1	29	249.378	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19728650
• 19728653
  

  Analogs

  31978081

  

  31978084

  

  31978085

  

  31978088

  

  31978089

  

  Popular Name: 1-[3-(4-isopropylphenoxy)propyl]piperazine 1-[3-(4-isopropylphenoxy)propyl]…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Otava (Virtual)

    • 1203906

  • PubChem

    • 20109598
    • 28296070

  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)	3.10	5.86	-40.93	2	3	1	29	263.405	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19728653
• 19728656
  

  Analogs

  31978081

  

  31978084

  

  31978085

  

  31978088

  

  31978089

  

  Popular Name: 1-[3-(4-tert-butylphenoxy)propyl]piperazine 1-[3-(4-tert-butylphenoxy)propyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 2260261

  • Molport

    • MolPort-002-091-663

  • ChemBridge

    • 7626143

  • Mcule

    • MCULE-4787792566

  • ChemDB

    • 4241372

  And 7 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)	3.30	6.24	-40.76	2	3	1	29	277.432	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19728656
• 19801386
  

  Analogs

  31977648

  

  31977863

  

  31977866

  

  31977867

  

  31977871

  

  Popular Name: 1-[3-(4-methylphenoxy)propyl]piperazine 1-[3-(4-methylphenoxy)propyl]pip…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 23010278
    • 28364086

  • SureChEMBL

    • SCHEMBL8410113

  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)	2.04	4.58	-41.24	2	3	1	29	235.351	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19801386
• 20406317
  

  Analogs

  31977866

  

  31977867

  

  31978084

  

  31978085

  

  Popular Name: 1-[3-(4-benzylphenoxy)propyl]-4-ethyl-piperazine 1-[3-(4-benzylphenoxy)propyl]-4-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 2477898

  • Molport

    • MolPort-002-276-264

  • ChemBridge

    • 7894215

  • Mcule

    • MCULE-2067893933

  • ChemDB

    • 7517333

  And 6 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)	4.52	11.52	-35.87	1	3	1	17	339.503	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	4.52	9.21	-5.21	0	3	0	16	338.495	8	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	4.52	11.52	-38.97	1	3	1	17	339.503	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20406317
• 20652727
  

  Analogs

  31977866

  

  31977867

  

  31978084

  

  31978085

  

  31978088

  

  Popular Name: 1-[3-(4-benzylphenoxy)propyl]-4-methyl-piperazine 1-[3-(4-benzylphenoxy)propyl]-4-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 2535277

  • Molport

    • MolPort-002-304-650

  • ChemBridge

    • 9011731

  • Mcule

    • MCULE-9232064250

  • ChemDB

    • 7546644

  And 6 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)	4.15	10.86	-37.15	1	3	1	17	325.476	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	4.15	8.4	-5.34	0	3	0	16	324.468	7	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	4.15	10.72	-38.89	1	3	1	17	325.476	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20652727