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• Synonyms (0)
• Vendors (0)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (6)

ZINC36680470

• 36680470

Physical Representations

Activity (Go SEA)

• 4206328
  

  Analogs

  11569607

  

  26514863

  

  26516509

  

  26516511

  

  34940049

  

  Popular Name: 3-(2,3,5-Trimethyl-phenoxy)-propylamine 3-(2,3,5-Trimethyl-phenoxy)-prop…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Asinex

    • BAS14744464

  • Asinex Building Blocks

    • BAS14744464

  • Enamine Building Blocks

    • EN300-13232
    • EN300-37105

  • Matrix Scientific

    • 019998

  And 19 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)	2.27	-1.06	-45.45	3	2	1	36	194.298	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04206328
• 11569596
  

  Analogs

  32110135

  

  34940049

  

  36678884

  

  36678885

  

  36680037

  

  Popular Name: 1-(3-aminopropoxy)-2,3-dimethylbenzene 1-(3-aminopropoxy)-2,3-dimethylb…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Enamine Building Blocks

    • EN300-185619

  • Scientific Exchange Building Blocks

    • F-332158

  • Innovapharm BB Make on Demand

    • BBV-00065749

  • PubChem

    • 42036221
    • 16787463

  And 3 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)	1.87	4.21	-45.25	3	2	1	37	180.271	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC11569596
• 2845317
  

  Analogs

  34940049

  

  36680470

  

  36680472

  

  36987680

  

  36987681

  

  Popular Name: methyl-[3-(2,3,5-trimethylphenoxy)propyl]ammonium methyl-[3-(2,3,5-trimethylphenox…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 2261867

  • Molport

    • MolPort-002-092-759

  • ChemBridge

    • 7715062

  • Mcule

    • MCULE-7636903770

  • BindingDB.org

    • 69126

  And 12 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)	3.25	6.72	-40.45	2	2	1	26	208.325	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02845317
• 11569595
  

  Analogs

  34940049

  

  36678616

  

  36678617

  

  36678884

  

  36678885

  

  Popular Name: 3-(2,5-dimethylphenoxy)propan-1-amine 3-(2,5-dimethylphenoxy)propan-1-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Scientific Exchange Building Blocks

    • F-332157

  • PubChem

    • 42036220
    • 14025834

  • SureChEMBL

    • SCHEMBL13697

  • Enamine BB Make on Demand

    • BBV-39137752

  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)	1.89	4.32	-45.3	3	2	1	37	180.271	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC11569595
• 34181973
  

  Analogs

  36677126

  

  36677127

  

  36678442

  

  36678443

  

  36678656

  

  Popular Name: 1-Propanamine, 3-(2,6-dimethylphenoxy)-2-methyl- (9CI) 1-Propanamine, 3-(2,6-dimethylph…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Chemstep

    • 50526

  • BindingDB.org

    • 50413866

  • ChEMBL12

    • CHEMBL468775
    • CHEMBL485647

  • ChEMBL19

    • CHEMBL485647

  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)	2.35	5.05	-44.91	3	2	1	37	194.298	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34181973
• 34181974
  

  Analogs

  36677126

  

  36677127

  

  36678442

  

  36678443

  

  36678656

  

  Popular Name: 1-Propanamine, 3-(2,6-dimethylphenoxy)-2-methyl- (9CI) 1-Propanamine, 3-(2,6-dimethylph…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Chemstep

    • 50526

  • BindingDB.org

    • 50413865

  • ChEMBL12

    • CHEMBL468775
    • CHEMBL485647

  • ChEMBL19

    • CHEMBL468775

  And 6 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)	2.35	5.05	-44.91	3	2	1	37	194.298	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34181974