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• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (2)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (6)

ZINC42913180

• 42913180

Physical Representations

Activity (Go SEA)

• 20185137
  

  Analogs

  42913176

  

  42913178

  

  42913180

  

  42913182

  

  Popular Name: N-[2-[[(1R)-1-(4-fluorophenyl)pentyl]amino]ethyl]acetamide N-[2-[[(1R)-1-(4-fluorophenyl)pe…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43206163
    • 28710675

  • Enamine BB Make on Demand

    • BBV-174053

  • UORSY BB Make-on-demand

    • BBV-174053

  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)	2.03	6.53	-57.5	3	3	1	46	267.368	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.03	5.3	-11.93	2	3	0	41	266.36	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20185137
• 20185139
  

  Analogs

  42913176

  

  42913178

  

  42913180

  

  42913182

  

  Popular Name: N-[2-[[(1S)-1-(4-fluorophenyl)pentyl]amino]ethyl]acetamide N-[2-[[(1S)-1-(4-fluorophenyl)pe…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43206163
    • 28710679

  • Enamine BB Make on Demand

    • BBV-174053

  • UORSY BB Make-on-demand

    • BBV-174053

  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)	2.03	6.63	-54.59	3	3	1	46	267.368	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.03	5.43	-10.85	2	3	0	41	266.36	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20185139
• 37235776
  

  Analogs

  37782687

  

  37782688

  

  37782689

  

  37782690

  

  42913176

  

  Popular Name: N-[2-[[(S)-cyclopropyl-(4-fluorophenyl)methyl]amino]ethyl]acetamide N-[2-[[(S)-cyclopropyl-(4-fluoro…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43770398

  • Enamine BB Make on Demand

    • BBV-27244789

  • UORSY BB Make-on-demand

    • BBV-27244789

  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)	1.86	5.74	-52.14	3	3	1	46	251.325	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.86	4.75	-10.18	2	3	0	41	250.317	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37235776
• 37235774
  

  Analogs

  37782687

  

  37782688

  

  37782689

  

  37782690

  

  42913176

  

  Popular Name: N-[2-[[(R)-cyclopropyl-(4-fluorophenyl)methyl]amino]ethyl]acetamide N-[2-[[(R)-cyclopropyl-(4-fluoro…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43770398

  • Enamine BB Make on Demand

    • BBV-27244789

  • UORSY BB Make-on-demand

    • BBV-27244789

  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)	1.86	5.51	-52.62	3	3	1	46	251.325	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.86	4.63	-9.51	2	3	0	41	250.317	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37235774
• 20148885
  

  Analogs

  37782018

  

  37782019

  

  37782020

  

  37782021

  

  42913168

  

  Popular Name: N-[2-[[(1S)-1-(4-fluorophenyl)propyl]amino]ethyl]acetamide N-[2-[[(1S)-1-(4-fluorophenyl)pr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43206109
    • 28684793

  • Enamine BB Make on Demand

    • BBV-173904

  • UORSY BB Make-on-demand

    • BBV-173904

  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)	0.97	5.09	-52.52	3	3	1	46	239.314	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.97	3.91	-10.9	2	3	0	41	238.306	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20148885
• 20148884
  

  Analogs

  42913168

  

  42913170

  

  42913172

  

  42913174

  

  42913176

  

  Popular Name: N-[2-[[(1R)-1-(4-fluorophenyl)propyl]amino]ethyl]acetamide N-[2-[[(1R)-1-(4-fluorophenyl)pr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43206109
    • 28684791

  • Enamine BB Make on Demand

    • BBV-173904

  • UORSY BB Make-on-demand

    • BBV-173904

  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)	0.97	4.94	-55.9	3	3	1	46	239.314	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.97	3.7	-11.91	2	3	0	41	238.306	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20148884