User Information

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

ZINC47952862

• 47952862

Physical Representations

Activity (Go SEA)

• 45664616
  

  Analogs

  47952862

  

  32927671

  

  Popular Name: ethyl ethyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61962619

  • Enamine BB Make on Demand

    • BBV-33661663

  • UORSY BB Make-on-demand

    • BBV-33661663

  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)	1.13	3.25	-11.43	2	6	0	90	320.798	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45664616
• 45664668
  

  Analogs

  47952862

  

  36909092

  

  44353673

  

  Popular Name: ethyl ethyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61963791

  • Enamine BB Make on Demand

    • BBV-33661681

  • UORSY BB Make-on-demand

    • BBV-33661681

  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)	1.13	3.25	-11.18	2	6	0	90	320.798	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45664668
• 45664737
  

  Analogs

  47952862

  

  47952902

  

  36909110

  

  36320364

  

  Popular Name: ethyl ethyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61962236

  • Enamine BB Make on Demand

    • BBV-33661705

  • UORSY BB Make-on-demand

    • BBV-33661705

  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)	2.15	4.48	-9.26	2	6	0	90	355.243	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45664737
• 45664773
  

  Analogs

  47952862

  

  32927671

  

  Popular Name: ethyl ethyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61963015

  • Enamine BB Make on Demand

    • BBV-33661717

  • UORSY BB Make-on-demand

    • BBV-33661717

  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)	1.74	3.97	-12.56	2	6	0	90	355.243	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45664773
• 45664836
  

  Analogs

  47952862

  

  47952902

  

  36909110

  

  36320364

  

  Popular Name: ethyl ethyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61961654

  • Enamine BB Make on Demand

    • BBV-33661742

  • UORSY BB Make-on-demand

    • BBV-33661742

  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)	1.52	3.98	-11.23	2	6	0	90	320.798	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45664836