User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (3)

ZINC37043860

• 37043860

Physical Representations

Activity (Go SEA)

• 46412505
  

  Analogs

  36999632

  

  36999633

  

  Popular Name: N-[2-(dimethylaminomethyl)phenyl]-3,3-dimethyl-butanamide N-[2-(dimethylaminomethyl)phenyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 47169945

  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)	2.85	8.31	-43.99	2	3	1	34	249.378	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC46412505
• 46412528
  

  Analogs

  37045487

  

  36999629

  

  Popular Name: N-[2-(dimethylaminomethyl)phenyl]butanamide N-[2-(dimethylaminomethyl)phenyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60749665

  • Enamine BB Make on Demand

    • BBV-39275735

  • UORSY BB Make-on-demand

    • BBV-39275735

  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)	2.31	7.55	-44.74	2	3	1	34	221.324	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.31	4.7	-6.99	1	3	0	32	220.316	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC46412528
• 48174245
  

  Analogs

  36999632

  

  36999633

  

  Popular Name: N-[2-(dimethylaminomethyl)phenyl]-3-methyl-butanamide N-[2-(dimethylaminomethyl)phenyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Otava (Virtual)

    • 5640934

  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)	2.52	7.78	-44.74	2	3	1	34	235.351	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.52	5.29	-6.52	1	3	0	32	234.343	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC48174245