User Information

• Synonyms (0)
• Vendors (0)
• Annotations (1)
• Representations (2)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (5)

ZINC32119982

• 32119982

Physical Representations

Activity (Go SEA)

• 32119983
  

  Analogs

  32119988

  

  32119989

  

  32119994

  

  32119995

  

  32120006

  

  Popular Name: (1S)-1-(2-ethoxyphenyl)-2-(4-pyridylmethylamino)ethanol (1S)-1-(2-ethoxyphenyl)-2-(4-pyr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 39371713

  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)	1.41	3.16	-8.49	2	4	0	54	272.348	7	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	1.41	3.6	-38.87	3	4	1	56	273.356	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32119983
• 44134084
  

  Analogs

  32110625

  

  32110626

  

  Popular Name: (1R)-1-(2-methoxyphenyl)-2-[methyl(4-pyridylmethyl)amino]ethanol (1R)-1-(2-methoxyphenyl)-2-[meth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61763146

  • Enamine BB Make on Demand

    • BBV-33441677

  • UORSY BB Make-on-demand

    • BBV-33441677

  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)	1.27	3.08	-7.63	1	4	0	46	272.348	6	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	1.27	5.44	-42.07	2	4	1	47	273.356	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC44134084
• 44134086
  

  Analogs

  32110625

  

  32110626

  

  Popular Name: (1S)-1-(2-methoxyphenyl)-2-[methyl(4-pyridylmethyl)amino]ethanol (1S)-1-(2-methoxyphenyl)-2-[meth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61763146

  • Enamine BB Make on Demand

    • BBV-33441677

  • UORSY BB Make-on-demand

    • BBV-33441677

  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)	1.27	3.1	-7.13	1	4	0	46	272.348	6	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	1.27	5.41	-40.64	2	4	1	47	273.356	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC44134086
• 44134208
  

  Analogs

  32119982

  

  32119983

  

  32110625

  

  Popular Name: (1S)-1-(2-ethoxyphenyl)-2-[methyl(4-pyridylmethyl)amino]ethanol (1S)-1-(2-ethoxyphenyl)-2-[methy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61763518

  • Enamine BB Make on Demand

    • BBV-33441699

  • UORSY BB Make-on-demand

    • BBV-33441699

  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)	1.65	3.97	-6.94	1	4	0	46	286.375	7	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	1.65	6.35	-40.36	2	4	1	47	287.383	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC44134208
• 44134210
  

  Analogs

  32119982

  

  32119983

  

  32110625

  

  Popular Name: (1R)-1-(2-ethoxyphenyl)-2-[methyl(4-pyridylmethyl)amino]ethanol (1R)-1-(2-ethoxyphenyl)-2-[methy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61763518

  • Enamine BB Make on Demand

    • BBV-33441699

  • UORSY BB Make-on-demand

    • BBV-33441699

  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)	1.65	4	-7.4	1	4	0	46	286.375	7	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	1.65	6.38	-41.8	2	4	1	47	287.383	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC44134210