User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (2)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (2)
• Analogs (13)

ZINC37103378

• 37103378

Physical Representations

Activity (Go SEA)

• 37748762
• 37748763
• 53148860
• 53149589
• 53149795
• 53149992
• 53149995
• 53150182
• 53150185
• 53155340
• 53155607
  

  Analogs

  37103375

  

  37103376

  

  Popular Name: (1R)-N-[(3-chloro-4-fluoro-phenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine (1R)-N-[(3-chloro-4-fluoro-pheny…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 62539251

  • Enamine BB Make on Demand

    • BBV-34479923

  • UORSY BB Make-on-demand

    • BBV-34479923

  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)	5.05	10.7	-49.25	2	1	1	17	292.805	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	5.05	9.68	-5.11	1	1	0	12	291.797	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC53155607
• 53155609
  

  Analogs

  37103375

  

  37103376

  

  Popular Name: (1S)-N-[(3-chloro-4-fluoro-phenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine (1S)-N-[(3-chloro-4-fluoro-pheny…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 62539251

  • Enamine BB Make on Demand

    • BBV-34479923

  • UORSY BB Make-on-demand

    • BBV-34479923

  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)	5.05	10.64	-49.15	2	1	1	17	292.805	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	5.05	9.48	-4.4	1	1	0	12	291.797	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC53155609
• 53155614
  

  Analogs

  21501436

  

  Popular Name: N-[(3-chloro-4-fluoro-phenyl)methyl]-1-(2,4-dimethylphenyl)methanamine N-[(3-chloro-4-fluoro-phenyl)met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60615876

  • AKOS (make-on-demand)

    • AKOS008892725

  • Enamine BB Make on Demand

    • BBV-34479924

  • UORSY BB Make-on-demand

    • BBV-34479924

  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)	4.49	10.11	-51.03	2	1	1	17	278.778	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	4.49	8.74	-5.15	1	1	0	12	277.77	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC53155614