User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (4)

ZINC44121886

• 44121886

Physical Representations

Activity (Go SEA)

• 42244270
  

  Analogs

  44112799

  

  44112802

  

  44113208

  

  44113211

  

  44119324

  

  Popular Name: (1S)-1-(2-methoxy-5-methyl-phenyl)-2-(1-piperidyl)ethanol (1S)-1-(2-methoxy-5-methyl-pheny…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60979644

  • Enamine BB Make on Demand

    • BBV-33157608

  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)	2.50	6.11	-32.1	2	3	1	34	250.362	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42244270
• 42244273
  

  Analogs

  44112799

  

  44112802

  

  44113208

  

  44113211

  

  44119324

  

  Popular Name: (1R)-1-(2-methoxy-5-methyl-phenyl)-2-(1-piperidyl)ethanol (1R)-1-(2-methoxy-5-methyl-pheny…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60979644

  • Enamine BB Make on Demand

    • BBV-33157608

  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)	2.50	6.14	-32.21	2	3	1	34	250.362	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42244273
• 19936052
  

  Analogs

  19936054

  

  32104754

  

  32113983

  

  32123246

  

  32125983

  

  Popular Name: (1R)-2-(4-amino-1-piperidyl)-1-(2-methoxy-5-methyl-phenyl)ethanol (1R)-2-(4-amino-1-piperidyl)-1-(…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 24277190
    • 28462909
    • 42129254

  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)	0.86	1.25	-48.74	4	4	1	60	265.377	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.86	3.24	-37.54	4	4	1	60	265.377	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19936052
• 19936054
  

  Analogs

  32104754

  

  32113983

  

  32123246

  

  32125983

  

  32125984

  

  Popular Name: (1S)-2-(4-amino-1-piperidyl)-1-(2-methoxy-5-methyl-phenyl)ethanol (1S)-2-(4-amino-1-piperidyl)-1-(…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 24277190
    • 28462911
    • 42129255

  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)	0.86	1.09	-49.41	4	4	1	60	265.377	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.86	3.12	-37.1	4	4	1	60	265.377	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19936054