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• Synonyms (0)
• Vendors (6)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (4)

ZINC45443638

• 45443638

Physical Representations

Activity (Go SEA)

• 37816893
  

  Analogs

  45443638

  

  55166065

  

  55166070

  

  61897071

  

  37816855

  

  Popular Name: (2S)-2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methyl-pentanamide (2S)-2-amino-N-cyclopropyl-N-[(2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60947289

  • Enamine BB Make on Demand

    • BBV-32160165

  • UORSY BB Make-on-demand

    • BBV-32160165

  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)	2.72	7.08	-45.36	3	4	1	57	291.415	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.72	7.49	-7.46	2	4	0	56	290.407	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37816893
• 37816894
  

  Analogs

  45443638

  

  55166065

  

  55166070

  

  61897071

  

  37816855

  

  Popular Name: (2R)-2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methyl-pentanamide (2R)-2-amino-N-cyclopropyl-N-[(2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60947289

  • Enamine BB Make on Demand

    • BBV-32160165

  • UORSY BB Make-on-demand

    • BBV-32160165

  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)	2.72	7.07	-44.45	3	4	1	57	291.415	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.72	6.81	-7.28	2	4	0	56	290.407	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37816894
• 37816898
  

  Analogs

  45443638

  

  55166065

  

  55166070

  

  37816855

  

  Popular Name: (2R)-2-amino-N,2-dicyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide (2R)-2-amino-N,2-dicyclopropyl-N…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60947390

  • Enamine BB Make on Demand

    • BBV-32160168

  • UORSY BB Make-on-demand

    • BBV-32160168

  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)	2.15	7.18	-42.44	3	4	1	57	289.399	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.15	6.91	-7.37	2	4	0	56	288.391	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37816898
• 37816899
  

  Analogs

  45443638

  

  55166065

  

  55166070

  

  37816855

  

  Popular Name: (2S)-2-amino-N,2-dicyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide (2S)-2-amino-N,2-dicyclopropyl-N…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60947390

  • Enamine BB Make on Demand

    • BBV-32160168

  • UORSY BB Make-on-demand

    • BBV-32160168

  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)	2.15	7.25	-40.71	3	4	1	57	289.399	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.15	7.64	-7.7	2	4	0	56	288.391	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37816899