User Information

• Synonyms (0)
• Vendors (4)
• Annotations (2)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (5)

ZINC00217589

• 217589

Physical Representations

Activity (Go SEA)

• 32153842
  

  Analogs

  19359733

  

  Popular Name: N-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]ethane-1,2-diamine N-cyclohexyl-N-[(3,4-dimethoxyph…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 39400792
    • 39400791

  • Enamine BB Make on Demand

    • BBV-37928723

  • UORSY BB Make-on-demand

    • BBV-37928723

  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)	2.10	6.44	-122.81	4	4	2	51	294.439	7	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.10	4.32	-46.29	3	4	1	49	293.431	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32153842
• 32207567
  

  Analogs

  217589

  

  Popular Name: 2-[cyclohexyl-[(3,4-dimethoxyphenyl)methyl]amino]acetic 2-[cyclohexyl-[(3,4-dimethoxyphe…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 39442127

  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)	1.63	8.24	-43.79	1	5	0	63	307.39	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32207567
• 34991404
  

  Analogs

  34991405

  

  35133990

  

  35133991

  

  8493707

  

  Popular Name: 2-methoxy-4-[[[(1R)-1-methylheptyl]amino]methyl]phenol 2-methoxy-4-[[[(1R)-1-methylhept…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43220741

  • Enamine BB Make on Demand

    • BBV-27100887

  • UORSY BB Make-on-demand

    • BBV-27100887

  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)	4.12	6.83	-44.23	3	3	1	46	266.405	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34991404
• 34991405
  

  Analogs

  35133990

  

  35133991

  

  8493707

  

  Popular Name: 2-methoxy-4-[[[(1S)-1-methylheptyl]amino]methyl]phenol 2-methoxy-4-[[[(1S)-1-methylhept…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43220741

  • Enamine BB Make on Demand

    • BBV-27100887

  • UORSY BB Make-on-demand

    • BBV-27100887

  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)	4.12	6.83	-44.24	3	3	1	46	266.405	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34991405
• 42176253
  

  Analogs

  263805

  

  Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-cyclopentanamine N-[(3,4-dimethoxyphenyl)methyl]-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61364778

  • Enamine BB Make on Demand

    • BBV-32792942

  • UORSY BB Make-on-demand

    • BBV-32792942

  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)	2.99	6.73	-41.8	2	3	1	35	250.362	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42176253