User Information

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

ZINC20558571

• 20558571

Physical Representations

Activity (Go SEA)

• 53155485
  

  Analogs

  21799045

  

  Popular Name: (1S)-N-[(3-chloro-4-fluoro-phenyl)methyl]-1-(4-chlorophenyl)ethanamine (1S)-N-[(3-chloro-4-fluoro-pheny…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 62538097

  • Enamine BB Make on Demand

    • BBV-34479904
    • BBV-44181243

  • UORSY BB Make-on-demand

    • BBV-34479904

  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)	4.90	9.97	-53.45	2	1	1	17	299.196	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	4.90	8.83	-4.6	1	1	0	12	298.188	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC53155485
• 53155490
  

  Analogs

  21799045

  

  Popular Name: (1R)-N-[(3-chloro-4-fluoro-phenyl)methyl]-1-(4-chlorophenyl)ethanamine (1R)-N-[(3-chloro-4-fluoro-pheny…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 62538097

  • Enamine BB Make on Demand

    • BBV-34479904
    • BBV-44180952

  • UORSY BB Make-on-demand

    • BBV-34479904

  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)	4.90	9.95	-53.59	2	1	1	17	299.196	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	4.90	8.85	-5.61	1	1	0	12	298.188	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC53155490