User Information

• Synonyms (0)
• Vendors (7)
• Annotations (2)
• Representations (1)
• Notes (1)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (5)

ZINC00503707

• 503707

Physical Representations

Vendor Notes

Activity (Go SEA)

• 41651124
  

  Analogs

  46915168

  

  6257054

  

  503707

  

  Popular Name: 1-(4-acetylphenyl)-3-(2,2,2-trifluoroethyl)urea 1-(4-acetylphenyl)-3-(2,2,2-trif…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60798858

  • Enamine BB Make on Demand

    • BBV-32715263

  • UORSY BB Make-on-demand

    • BBV-32715263

  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)	2.27	3.8	-10.61	2	4	0	58	260.215	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC41651124
• 41703453
  

  Analogs

  503707

  

  Popular Name: 3-(4-acetylphenyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea 3-(4-acetylphenyl)-1-methyl-1-(2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61347597

  • Enamine BB Make on Demand

    • BBV-32721558

  • UORSY BB Make-on-demand

    • BBV-32721558

  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)	2.51	5.92	-13.2	1	4	0	49	274.242	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC41703453
• 41703607
  

  Analogs

  42240147

  

  46915168

  

  503707

  

  Popular Name: 3-(4-acetylphenyl)-1-(2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)urea 3-(4-acetylphenyl)-1-(2-hydroxye…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61347041

  • Enamine BB Make on Demand

    • BBV-32721646

  • UORSY BB Make-on-demand

    • BBV-32721646

  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)	1.88	3.94	-11.98	2	5	0	70	304.268	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC41703607
• 42798535
  

  Analogs

  43465637

  

  45948450

  

  46915168

  

  57987150

  

  503707

  

  Popular Name: 3-(4-acetylphenyl)-1-ethyl-1-(2,2,2-trifluoroethyl)urea 3-(4-acetylphenyl)-1-ethyl-1-(2,…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61610056

  • Enamine BB Make on Demand

    • BBV-33259829

  • UORSY BB Make-on-demand

    • BBV-33259829

  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)	2.89	7.02	-12.05	1	4	0	49	288.269	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42798535
• 42798543
  

  Analogs

  45948450

  

  41638331

  

  3189017

  

  Popular Name: 3-(4-acetylphenyl)-1-cyclopropyl-1-(2,2,2-trifluoroethyl)urea 3-(4-acetylphenyl)-1-cyclopropyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61610058

  • Enamine BB Make on Demand

    • BBV-33259831

  • UORSY BB Make-on-demand

    • BBV-33259831

  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)	2.88	7.3	-15.96	1	4	0	49	300.28	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42798543