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• Synonyms (0)
• Vendors (0)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (5)

ZINC32117602

• 32117602

Physical Representations

Activity (Go SEA)

• 32182655
  

  Analogs

  32199464

  

  32199468

  

  32212908

  

  32212911

  

  32226090

  

  Popular Name: (4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenoxy-butan-1-amine (4S)-4-(2,3-dihydro-1,4-benzodio…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 39420828

  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)	2.43	6.2	-48.53	3	4	1	55	300.378	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32182655
• 13530854
  

  Analogs

  32108780

  

  32108781

  

  32117602

  

  32117603

  

  32117619

  

  Popular Name: 3-[(S)-phenyl-(4-piperidyl)methoxy]benzonitrile 3-[(S)-phenyl-(4-piperidyl)metho…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • BindingDB.org

    • 50136135

  • ChEMBL12

    • CHEMBL153093

  • ChEMBL12 10uM

    • CHEMBL153093

  • ChEMBL19

    • CHEMBL153093

  • PubChem

    • 59039059

  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)	3.51	9.32	-45.75	2	3	1	50	293.39	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC13530854
• 13530857
  

  Analogs

  32108780

  

  32108781

  

  32117602

  

  32117603

  

  32117619

  

  Popular Name: 3-[(R)-phenyl-(4-piperidyl)methoxy]benzonitrile 3-[(R)-phenyl-(4-piperidyl)metho…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • BindingDB.org

    • 50136135

  • ChEMBL12

    • CHEMBL153093

  • ChEMBL12 10uM

    • CHEMBL153093

  • ChEMBL19

    • CHEMBL153093

  • PubChem

    • 9904147

  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)	3.51	9.36	-50.57	2	3	1	50	293.39	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC13530857
• 13530798
  

  Analogs

  32108779

  

  32108780

  

  32108781

  

  32108782

  

  32108783

  

  Popular Name: 4-[(R)-phenoxy-phenyl-methyl]piperidine 4-[(R)-phenoxy-phenyl-methyl]pip…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • BindingDB.org

    • 50136157

  • ChEMBL12

    • CHEMBL447188

  • ChEMBL12 10uM

    • CHEMBL447188

  • ChEMBL19

    • CHEMBL447188

  • PubChem

    • 9795348

  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)	3.78	9.15	-39.99	2	2	1	26	268.38	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC13530798
• 13530801
  

  Analogs

  32108779

  

  32108780

  

  32108781

  

  32108782

  

  32108783

  

  Popular Name: 4-[(S)-phenoxy-phenyl-methyl]piperidine 4-[(S)-phenoxy-phenyl-methyl]pip…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • BindingDB.org

    • 50136157

  • ChEMBL12

    • CHEMBL447188

  • ChEMBL12 10uM

    • CHEMBL447188

  • ChEMBL19

    • CHEMBL447188

  • PubChem

    • 9795348

  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)	3.78	8.93	-39.01	2	2	1	26	268.38	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC13530801