User Information

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

ZINC44166560

• 44166560

Physical Representations

Activity (Go SEA)

• 44132530
  

  Analogs

  44166554

  

  44166560

  

  19785007

  

  19785008

  

  Popular Name: (1R)-1-(4-ethoxyphenyl)-2-[(2R)-2-ethylmorpholin-4-yl]ethanol (1R)-1-(4-ethoxyphenyl)-2-[(2R)-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61761943

  • Enamine BB Make on Demand

    • BBV-33441381

  • UORSY BB Make-on-demand

    • BBV-33441381

  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)	2.30	3.16	-5.82	1	4	0	42	279.38	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.30	5.46	-40.87	2	4	1	43	280.388	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC44132530
• 44132532
  

  Analogs

  44166554

  

  44166560

  

  19785007

  

  19785008

  

  Popular Name: (1R)-1-(4-ethoxyphenyl)-2-[(2S)-2-ethylmorpholin-4-yl]ethanol (1R)-1-(4-ethoxyphenyl)-2-[(2S)-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61761943

  • Enamine BB Make on Demand

    • BBV-33441381

  • UORSY BB Make-on-demand

    • BBV-33441381

  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)	2.30	3.18	-5.94	1	4	0	42	279.38	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.30	5.46	-40.85	2	4	1	43	280.388	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC44132532
• 44132600
  

  Analogs

  44166554

  

  44166560

  

  19785008

  

  19785007

  

  Popular Name: (1S)-2-[(2R)-2-ethylmorpholin-4-yl]-1-(4-propoxyphenyl)ethanol (1S)-2-[(2R)-2-ethylmorpholin-4-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61762735

  • Enamine BB Make on Demand

    • BBV-33441396

  • UORSY BB Make-on-demand

    • BBV-33441396

  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)	2.80	3.99	-5.69	1	4	0	42	293.407	7	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.80	6.25	-40.75	2	4	1	43	294.415	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC44132600
• 44132602
  

  Analogs

  44166554

  

  44166560

  

  19785008

  

  19785007

  

  Popular Name: (1R)-2-[(2R)-2-ethylmorpholin-4-yl]-1-(4-propoxyphenyl)ethanol (1R)-2-[(2R)-2-ethylmorpholin-4-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61762735

  • Enamine BB Make on Demand

    • BBV-33441396

  • UORSY BB Make-on-demand

    • BBV-33441396

  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)	2.80	3.96	-5.5	1	4	0	42	293.407	7	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.80	6.26	-40.8	2	4	1	43	294.415	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC44132602
• 44132622
  

  Analogs

  44166554

  

  44166560

  

  19785008

  

  19785007

  

  Popular Name: (1R)-2-[(2S)-2-ethylmorpholin-4-yl]-1-(4-isopropoxyphenyl)ethanol (1R)-2-[(2S)-2-ethylmorpholin-4-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61760973

  • Enamine BB Make on Demand

    • BBV-33441401

  • UORSY BB Make-on-demand

    • BBV-33441401

  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)	2.66	3.82	-5.87	1	4	0	42	293.407	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.66	6.09	-40.8	2	4	1	43	294.415	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC44132622
• 42251720
  

  Analogs

  42251726

  

  44166554

  

  44166560

  

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

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 54949015

  • Enamine BB Make on Demand

    • BBV-33158875

  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)	1.59	4.55	-38.11	2	4	1	43	266.361	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.59	2.09	-6.79	1	4	0	42	265.353	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42251720
• 42251726
  

  Analogs

  44166554

  

  44166560

  

  42251720

  

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

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 54949015

  • Enamine BB Make on Demand

    • BBV-33158875

  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)	1.59	4.57	-38.47	2	4	1	43	266.361	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.59	2.08	-7.26	1	4	0	42	265.353	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42251726