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

ZINC48572407

• 48572407

Physical Representations

Activity (Go SEA)

• 37810252
  

  Analogs

  48572407

  

  49237586

  

  Popular Name: 2-(cyclopropylamino)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide 2-(cyclopropylamino)-N-methyl-N-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 54871450

  • Enamine BB Make on Demand

    • BBV-32156576

  • UORSY BB Make-on-demand

    • BBV-32156576

  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)	1.12	7.74	-48.33	2	6	1	83	264.305	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.12	6.45	-12.63	1	6	0	78	263.297	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37810252
• 37810256
  

  Analogs

  40087765

  

  48572407

  

  49237586

  

  49399806

  

  Popular Name: N-methyl-2-[[(1R)-1-methylpropyl]amino]-N-[(2-nitrophenyl)methyl]acetamide N-methyl-2-[[(1R)-1-methylpropyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60945754

  • Enamine BB Make on Demand

    • BBV-32156579

  • UORSY BB Make-on-demand

    • BBV-32156579

  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	8.35	-49.09	2	6	1	83	280.348	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.97	7.31	-13.23	1	6	0	78	279.34	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37810256
• 37810257
  

  Analogs

  40087765

  

  48572407

  

  49237586

  

  49399806

  

  Popular Name: N-methyl-2-[[(1S)-1-methylpropyl]amino]-N-[(2-nitrophenyl)methyl]acetamide N-methyl-2-[[(1S)-1-methylpropyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60945754

  • Enamine BB Make on Demand

    • BBV-32156579

  • UORSY BB Make-on-demand

    • BBV-32156579

  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	8.35	-48.99	2	6	1	83	280.348	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.97	7.15	-13.26	1	6	0	78	279.34	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37810257