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• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (2)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (8)

ZINC37813860

• 37813860

Physical Representations

Activity (Go SEA)

• 48567976
  

  Analogs

  37812342

  

  37812961

  

  Popular Name: ethyl ethyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61224318

  • Enamine BB Make on Demand

    • BBV-33709445

  • UORSY BB Make-on-demand

    • BBV-33709445

  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)	2.26	6.73	-40.73	2	5	1	60	271.381	8	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.26	5.04	-13.85	1	5	0	59	270.373	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC48567976
• 48568024
  

  Analogs

  37812342

  

  37813860

  

  Popular Name: ethyl ethyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61225281

  • Enamine BB Make on Demand

    • BBV-33709453

  • UORSY BB Make-on-demand

    • BBV-33709453

  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)	2.63	7.13	-40.83	2	5	1	60	273.397	10	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.63	5.39	-10.81	1	5	0	59	272.389	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC48568024
• 49572937
  

  Analogs

  37813860

  

  37825658

  

  Popular Name: ethyl ethyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 52323274

  • Enamine BB Make on Demand

    • BBV-33712365

  • UORSY BB Make-on-demand

    • BBV-33712365

  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)	2.77	7.25	-40.88	2	5	1	60	285.408	8	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.77	5.55	-14.15	1	5	0	59	284.4	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49572937
• 49572941
  

  Analogs

  37813860

  

  37825658

  

  Popular Name: ethyl ethyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 52323276

  • Enamine BB Make on Demand

    • BBV-33712368

  • UORSY BB Make-on-demand

    • BBV-33712368

  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)	3.27	7.7	-40.93	2	5	1	60	299.435	8	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.27	6.01	-14.06	1	5	0	59	298.427	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49572941
• 50066427
  

  Analogs

  37812342

  

  37812961

  

  Popular Name: ethyl ethyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 52332396

  • Enamine BB Make on Demand

    • BBV-46405451

  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)	1.59	3.74	-13.81	1	5	0	59	242.319	7	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.59	5.92	-44.4	2	5	1	60	243.327	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC50066427
• 50066438
  

  Analogs

  37813860

  

  37825658

  

  Popular Name: ethyl ethyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 52332397

  • Enamine BB Make on Demand

    • BBV-45660090

  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)	2.09	4.27	-14.06	1	5	0	59	256.346	7	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.09	6.44	-44.54	2	5	1	60	257.354	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC50066438
• 59724300
  

  Analogs

  37813860

  

  37825658

  

  Popular Name: 2-[cyclopentyl-[(2S)-2-[[(1R)-2-ethoxy-1-methyl-2-oxo-ethyl]amino]propanoyl]amino]acetic 2-[cyclopentyl-[(2S)-2-[[(1R)-2-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 18631776
    • 21245982

  • SureChEMBL

    • SCHEMBL10487593

  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)	0.08	6.64	-68.26	1	7	-1	99	313.374	9	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.08	7.49	-45.9	2	7	0	103	314.382	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC59724300
• 59724301
  

  Analogs

  37813860

  

  37825658

  

  Popular Name: 2-[cyclopentyl-[(2S)-2-[[(1S)-2-ethoxy-1-methyl-2-oxo-ethyl]amino]propanoyl]amino]acetic 2-[cyclopentyl-[(2S)-2-[[(1S)-2-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 18631776
    • 21245982

  • SureChEMBL

    • SCHEMBL10487593

  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)	0.08	6.32	-46.14	1	7	-1	99	313.374	9	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.08	7.39	-45	2	7	0	103	314.382	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC59724301