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

ZINC13721223

• 13721223

Physical Representations

Activity (Go SEA)

• 21806164
  

  Analogs

  13721144

  

  Popular Name: (1R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-propylphenyl)ethanamine (1R)-N-[2-(4-chlorophenyl)ethyl]…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43109284
    • 29783211

  • Enamine BB Make on Demand

    • BBR-056436

  • UORSY BB Make-on-demand

    • BBR-056436

  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)	5.84	11.27	-3.34	1	1	0	12	301.861	7	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	5.84	12.51	-47.21	2	1	1	17	302.869	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21806164
• 21806167
  

  Analogs

  13721144

  

  Popular Name: (1S)-N-[2-(4-chlorophenyl)ethyl]-1-(4-propylphenyl)ethanamine (1S)-N-[2-(4-chlorophenyl)ethyl]…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43109284
    • 29783213

  • Enamine BB Make on Demand

    • BBR-056436

  • UORSY BB Make-on-demand

    • BBR-056436

  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)	5.84	11.24	-2.53	1	1	0	12	301.861	7	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	5.84	12.5	-47.15	2	1	1	17	302.869	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21806167
• 21810762
  

  Analogs

  13721229

  

  Popular Name: 2-(4-chlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine 2-(4-chlorophenyl)-N-[[4-(triflu…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 29787205

  • Enamine BB Make on Demand

    • BBR-057816

  • UORSY BB Make-on-demand

    • BBR-057816

  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)	4.87	9.12	-4.37	1	1	0	12	313.75	6	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	4.87	10.54	-56.23	2	1	1	17	314.758	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21810762