User Information

• Synonyms (0)
• Vendors (2)
• Annotations (2)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (10)

ZINC11754411

• 11754411

Physical Representations

Activity (Go SEA)

• 37813795
  

  Analogs

  59533784

  

  11754411

  

  Popular Name: ethyl ethyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 54871706
    • 61164144

  • Enamine BB Make on Demand

    • BBV-32504986
    • BBV-32158467

  • UORSY BB Make-on-demand

    • BBV-32158467

  And 1 More

  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)	0.06	4.89	-38.26	2	6	1	72	259.326	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37813795
• 37813796
  

  Analogs

  59533784

  

  11754411

  

  Popular Name: ethyl ethyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 54871706

  • Enamine BB Make on Demand

    • BBV-32158467

  • UORSY BB Make-on-demand

    • BBV-32158467

  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)	0.06	4.47	-40.35	2	6	1	72	259.326	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37813796
• 37813834
  

  Analogs

  59347789

  

  4029927

  

  Popular Name: ethyl ethyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 54871553

  • Enamine BB Make on Demand

    • BBV-32158492

  • UORSY BB Make-on-demand

    • BBV-32158492

  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)	0.19	3.45	-46.2	3	6	1	83	261.342	10	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.19	3.18	-8.41	2	6	0	82	260.334	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37813834
• 37813835
  

  Analogs

  59347789

  

  4029927

  

  Popular Name: ethyl ethyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 54871553

  • Enamine BB Make on Demand

    • BBV-32158492

  • UORSY BB Make-on-demand

    • BBV-32158492

  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)	0.19	3.53	-46.58	3	6	1	83	261.342	10	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.19	3.19	-10.5	2	6	0	82	260.334	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37813835
• 37818656
  

  Analogs

  39439600

  

  40469749

  

  40469750

  

  11754484

  

  Popular Name: methyl methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61164930
    • 60963817

  • Enamine BB Make on Demand

    • BBV-32505444
    • BBV-32161177

  • UORSY BB Make-on-demand

    • BBV-32161177

  And 1 More

  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)	-0.30	3.17	-41.8	2	5	1	63	201.246	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37818656
• 37818657
  

  Analogs

  39439600

  

  40469749

  

  40469750

  

  11754484

  

  Popular Name: methyl methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60963817

  • Enamine BB Make on Demand

    • BBV-32161177

  • UORSY BB Make-on-demand

    • BBV-32161177

  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)	-0.30	3.14	-38.82	2	5	1	63	201.246	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37818657
• 37825584
  

  Analogs

  59533784

  

  11754411

  

  Popular Name: ethyl ethyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 54873956
    • 61164579

  • Enamine BB Make on Demand

    • BBV-32506055
    • BBV-32164678

  • UORSY BB Make-on-demand

    • BBV-32164678

  And 1 More

  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)	0.44	5.31	-40.04	2	5	1	63	241.311	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37825584
• 37825585
  

  Analogs

  59533784

  

  11754411

  

  Popular Name: ethyl ethyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 54873956

  • Enamine BB Make on Demand

    • BBV-32164678

  • UORSY BB Make-on-demand

    • BBV-32164678

  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)	0.44	5.35	-40.99	2	5	1	63	241.311	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37825585
• 37825632
  

  Analogs

  59325879

  

  59325880

  

  59533784

  

  11754411

  

  Popular Name: ethyl ethyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 54874004

  • Enamine BB Make on Demand

    • BBV-32164707

  • UORSY BB Make-on-demand

    • BBV-32164707

  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)	0.57	4.84	-43.17	3	5	1	74	243.327	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.57	4.56	-8.63	2	5	0	73	242.319	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37825632
• 37825633
  

  Analogs

  59325879

  

  59325880

  

  59533784

  

  11754411

  

  Popular Name: ethyl ethyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 54874004

  • Enamine BB Make on Demand

    • BBV-32164707

  • UORSY BB Make-on-demand

    • BBV-32164707

  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)	0.57	4.83	-45.2	3	5	1	74	243.327	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.57	4.5	-9.93	2	5	0	73	242.319	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37825633