User Information

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

ZINC37112065

• 37112065

Physical Representations

Activity (Go SEA)

• 41703424
  

  Analogs

  41703526

  

  37051197

  

  37098859

  

  Popular Name: 4-[2-[isobutyl(methyl)amino]-2-oxo-ethoxy]benzamide 4-[2-[isobutyl(methyl)amino]-2-o…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 47181009

  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)	1.29	4.36	-15.58	2	5	0	73	264.325	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC41703424
• 41703526
  

  Analogs

  41703424

  

  37051197

  

  37098859

  

  Popular Name: 4-[2-[ethyl(isobutyl)amino]-2-oxo-ethoxy]benzamide 4-[2-[ethyl(isobutyl)amino]-2-ox…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 47181102

  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)	1.66	5.27	-15.03	2	5	0	73	278.352	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC41703526
• 21954641
  

  Analogs

  34657521

  

  34657556

  

  34657793

  

  34657952

  

  34819169

  

  Popular Name: 2-[4-(aminomethyl)phenoxy]-N-isobutyl-acetamide 2-[4-(aminomethyl)phenoxy]-N-iso…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 29894624
    • 16770965

  • AKOS (make-on-demand)

    • AKOS000127523

  • Enamine BB Make on Demand

    • BBV-32033261

  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	3.69	-58.4	4	4	1	66	237.323	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21954641
• 19400848
  

  Analogs

  37098859

  

  37108797

  

  37109072

  

  37110988

  

  37111886

  

  Popular Name: 2-[4-(aminomethyl)phenoxy]-N-(3-dimethylamino-2,2-dimethyl-propyl)acetamide 2-[4-(aminomethyl)phenoxy]-N-(3-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 18069778
    • 28157547

  • Enamine BB Make on Demand

    • BBV-052567

  • UORSY BB Make-on-demand

    • BBV-052567

  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)	1.47	5.75	-99.54	5	5	2	70	295.427	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19400848