User Information

• Synonyms (1)
• Vendors (14)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (3)

ZINC20053674

• 20053674

Physical Representations

Activity (Go SEA)

• 42768157
  

  Analogs

  1752328

  

  35819

  

  Popular Name: 1-[4-[ethyl(2,2,2-trifluoroethyl)amino]phenyl]ethanone 1-[4-[ethyl(2,2,2-trifluoroethyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 55010564

  • Enamine BB Make on Demand

    • BBV-33254732

  • UORSY BB Make-on-demand

    • BBV-33254732

  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)	3.24	7.43	-9.08	0	2	0	20	245.244	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42768157
• 42768801
  

  Analogs

  34654403

  

  34653766

  

  Popular Name: 4-[(1R)-1-aminoethyl]-N-ethyl-N-(2,2,2-trifluoroethyl)aniline 4-[(1R)-1-aminoethyl]-N-ethyl-N-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 55010809

  • Enamine BB Make on Demand

    • BBV-33254852

  • UORSY BB Make-on-demand

    • BBV-33254852
    • BBV-37380706

  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)	1.21	5.78	-42.89	3	2	1	31	247.284	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.21	5.45	-3.92	2	2	0	29	246.276	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42768801
• 42768805
  

  Analogs

  34654403

  

  34653766

  

  Popular Name: 4-[(1S)-1-aminoethyl]-N-ethyl-N-(2,2,2-trifluoroethyl)aniline 4-[(1S)-1-aminoethyl]-N-ethyl-N-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 55010809
    • 63369029

  • Enamine BB Make on Demand

    • BBV-33254852

  • UORSY BB Make-on-demand

    • BBV-33254852
    • BBV-37380705

  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)	1.21	5.78	-43.64	3	2	1	31	247.284	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.21	5.45	-4.36	2	2	0	29	246.276	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42768805