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

ZINC13723063

• 13723063

Physical Representations

Activity (Go SEA)

• 21811706
  

  Analogs

  13723125

  

  Popular Name: (1S)-N-[2-(2,4-dichlorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine (1S)-N-[2-(2,4-dichlorophenyl)et…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43109924
    • 29787923

  • Enamine BB Make on Demand

    • BBR-058154

  • UORSY BB Make-on-demand

    • BBR-058154

  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)	5.97	10.61	-3.42	1	1	0	12	322.279	5	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	5.97	11.87	-45.06	2	1	1	17	323.287	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21811706
• 21819315
  

  Analogs

  13722733

  

  Popular Name: (1R)-N-[2-(2,4-dichlorophenyl)ethyl]-1-(p-tolyl)propan-1-amine (1R)-N-[2-(2,4-dichlorophenyl)et…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43111206
    • 29798285

  • Enamine BB Make on Demand

    • BBR-061875

  • UORSY BB Make-on-demand

    • BBR-061875

  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)	5.19	10.98	-4.13	1	1	0	12	322.279	6	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	5.19	12.08	-43.82	2	1	1	17	323.287	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21819315
• 21819317
  

  Analogs

  13722733

  

  Popular Name: (1S)-N-[2-(2,4-dichlorophenyl)ethyl]-1-(p-tolyl)propan-1-amine (1S)-N-[2-(2,4-dichlorophenyl)et…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43111206
    • 29798287

  • Enamine BB Make on Demand

    • BBR-061875

  • UORSY BB Make-on-demand

    • BBR-061875

  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)	5.19	10.88	-3.23	1	1	0	12	322.279	6	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	5.19	12.07	-42.42	2	1	1	17	323.287	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21819317