User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (2)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (10)

ZINC32115120

• 32115120

Physical Representations

Activity (Go SEA)

• 32128893
  

  Analogs

  32128894

  

  32128901

  

  32128902

  

  32130595

  

  32130597

  

  Popular Name: (2S)-1-(2,3-dimethoxyphenoxy)-3-[[(1R)-1-methylpropyl]amino]propan-2-ol (2S)-1-(2,3-dimethoxyphenoxy)-3-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 39382944

  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)	1.97	3.94	-40.64	3	5	1	65	284.376	9	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.97	2.77	-7.75	2	5	0	60	283.368	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32128893
• 70517912
  

  Analogs

  20525021

  

  32115118

  

  Popular Name: (2R)-2-(cyclopropylamino)-4-(2,6-dimethoxyphenoxy)butan-1-ol (2R)-2-(cyclopropylamino)-4-(2,6…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64804717

  • Enamine BB Make on Demand

    • BBV-39589864

  • UORSY BB Make-on-demand

    • BBV-39589864

  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)	1.39	3.56	-34.88	3	5	1	65	282.36	9	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.39	2.41	-10.12	2	5	0	60	281.352	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70517912
• 1469943
  

  Analogs

  5831264

  

  32108513

  

  32108514

  

  32108515

  

  32108516

  

  Popular Name: 1-(2,6-dimethoxyphenoxy)-3-isopropylamino-propan-2-ol 1-(2,6-dimethoxyphenoxy)-3-isopr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm

    • STT-00002275

  • TimTec Make-on-Demand

    • ST51154791

  • ChemDB

    • 6193919

  • PubChem

    • 1539768
    • 6988830

  And 5 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)	1.43	-1.76	-39.11	3	5	1	64	270.349	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01469943
• 1469944
  

  Analogs

  5831264

  

  32108513

  

  32108514

  

  32108515

  

  32108516

  

  Popular Name: 1-(2,6-dimethoxyphenoxy)-3-isopropylamino-propan-2-ol 1-(2,6-dimethoxyphenoxy)-3-isopr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm

    • STT-00002275

  • TimTec Make-on-Demand

    • ST51154791

  • ChemDB

    • 6193919

  • PubChem

    • 1539769
    • 6988831

  And 5 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)	1.43	-1.8	-39.2	3	5	1	64	270.349	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01469944
• 8844749
  

  Analogs

  32106368

  

  32106371

  

  32107917

  

  32108507

  

  32108508

  

  Popular Name: 1-(2-methoxyphenoxy)-3-sec-butylamino-propan-2-ol 1-(2-methoxyphenoxy)-3-sec-butyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 12051736

  • Molport

    • MolPort-005-288-539
    • MolPort-008-570-759

  • ChemBridge

    • 9149534

  • Life Chemicals

    • F3314-0162

  And 10 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)	1.96	-1.82	-41.71	3	4	1	55	254.35	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC08844749
• 8844746
  

  Analogs

  8844747

  

  8844748

  

  8844749

  

  32106368

  

  32106371

  

  Popular Name: 1-(2-methoxyphenoxy)-3-sec-butylamino-propan-2-ol 1-(2-methoxyphenoxy)-3-sec-butyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 12051736

  • Molport

    • MolPort-005-288-539
    • MolPort-008-570-759

  • ChemBridge

    • 9149534

  • Life Chemicals

    • F3314-0162

  And 10 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)	1.96	-1.78	-41.72	3	4	1	55	254.35	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC08844746
• 8844747
  

  Analogs

  8844748

  

  8844749

  

  32106368

  

  32106371

  

  32107917

  

  Popular Name: 1-(2-methoxyphenoxy)-3-sec-butylamino-propan-2-ol 1-(2-methoxyphenoxy)-3-sec-butyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 12051736

  • Molport

    • MolPort-005-288-539
    • MolPort-008-570-759

  • ChemBridge

    • 9149534

  • Life Chemicals

    • F3314-0162

  And 10 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)	1.96	-1.78	-41.68	3	4	1	55	254.35	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC08844747
• 8844748
  

  Analogs

  8844749

  

  32106368

  

  32106371

  

  32107917

  

  32108507

  

  Popular Name: 1-(2-methoxyphenoxy)-3-sec-butylamino-propan-2-ol 1-(2-methoxyphenoxy)-3-sec-butyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 12051736

  • Molport

    • MolPort-005-288-539
    • MolPort-008-570-759

  • ChemBridge

    • 9149534

  • Life Chemicals

    • F3314-0162

  And 10 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)	1.96	-1.82	-41.71	3	4	1	55	254.35	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC08844748
• 26781296
  

  Analogs

  32108513

  

  32108514

  

  32108515

  

  32108516

  

  32115118

  

  Popular Name: 2-[[(2S)-3-(2,6-dimethoxyphenoxy)-2-hydroxy-propyl]amino]-2-methyl-propan-1-ol 2-[[(2S)-3-(2,6-dimethoxyphenoxy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 44787109
    • 34065618

  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)	0.94	0.2	-38.36	4	6	1	85	300.375	9	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.94	-1.06	-10.64	3	6	0	80	299.367	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC26781296
• 26781298
  

  Analogs

  32108513

  

  32108514

  

  32108515

  

  32108516

  

  32115118

  

  Popular Name: 2-[[(2R)-3-(2,6-dimethoxyphenoxy)-2-hydroxy-propyl]amino]-2-methyl-propan-1-ol 2-[[(2R)-3-(2,6-dimethoxyphenoxy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 44787109
    • 34065621

  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)	0.94	0.15	-38.61	4	6	1	85	300.375	9	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.94	-1.19	-11.74	3	6	0	80	299.367	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC26781298