User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (9)

ZINC52249535

• 52249535

Physical Representations

Activity (Go SEA)

• 52260878
  

  Analogs

  52260881

  

  52260883

  

  52260886

  

  52263515

  

  52263517

  

  Popular Name: (2R,3S)-2-ethyl-3-hydroxy-3-(3-hydroxyphenyl)butanoic (2R,3S)-2-ethyl-3-hydroxy-3-(3-h…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 62399034

  • Enamine BB Make on Demand

    • BBV-37188977

  • UORSY BB Make-on-demand

    • BBV-37188977

  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)	1.70	2.1	-40.3	2	4	-1	81	223.248	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC52260878
• 52260881
  

  Analogs

  52260883

  

  52260886

  

  52263515

  

  52263517

  

  52263520

  

  Popular Name: (2S,3S)-2-ethyl-3-hydroxy-3-(3-hydroxyphenyl)butanoic (2S,3S)-2-ethyl-3-hydroxy-3-(3-h…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 62399034

  • Enamine BB Make on Demand

    • BBV-37188977

  • UORSY BB Make-on-demand

    • BBV-37188977

  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)	1.70	2.18	-44.52	2	4	-1	81	223.248	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC52260881
• 52260883
  

  Analogs

  52260886

  

  52263515

  

  52263517

  

  52263520

  

  52263522

  

  Popular Name: (2R,3R)-2-ethyl-3-hydroxy-3-(3-hydroxyphenyl)butanoic (2R,3R)-2-ethyl-3-hydroxy-3-(3-h…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 62399034

  • Enamine BB Make on Demand

    • BBV-37188977

  • UORSY BB Make-on-demand

    • BBV-37188977

  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)	1.70	3.04	-48.88	2	4	-1	81	223.248	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC52260883
• 52260886
  

  Analogs

  52263515

  

  52263517

  

  52263520

  

  52263522

  

  52264355

  

  Popular Name: (2S,3R)-2-ethyl-3-hydroxy-3-(3-hydroxyphenyl)butanoic (2S,3R)-2-ethyl-3-hydroxy-3-(3-h…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 62399034

  • Enamine BB Make on Demand

    • BBV-37188977

  • UORSY BB Make-on-demand

    • BBV-37188977

  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)	1.70	3.11	-45.19	2	4	-1	81	223.248	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC52260886
• 52249482
  

  Analogs

  52249487

  

  52249488

  

  52249489

  

  52249490

  

  52249503

  

  Popular Name: methyl methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 25186342

  • Enamine BB Make on Demand

    • BBV-34276202

  • UORSY BB Make-on-demand

    • BBV-34276202

  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)	2.37	4.59	-6.85	1	4	0	56	238.283	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC52249482
• 52249481
  

  Analogs

  52249482

  

  52249487

  

  52249488

  

  52249489

  

  52249490

  

  Popular Name: methyl methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 25186342

  • Enamine BB Make on Demand

    • BBV-34276202

  • UORSY BB Make-on-demand

    • BBV-34276202

  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)	2.37	4.43	-7.63	1	4	0	56	238.283	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC52249481
• 52249479
  

  Analogs

  52249480

  

  52249481

  

  52249482

  

  52249487

  

  52249488

  

  Popular Name: methyl methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 25186342

  • Enamine BB Make on Demand

    • BBV-34276202

  • UORSY BB Make-on-demand

    • BBV-34276202

  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)	2.37	4.56	-7.33	1	4	0	56	238.283	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC52249479
• 52249480
  

  Analogs

  52249481

  

  52249482

  

  52249487

  

  52249488

  

  52249489

  

  Popular Name: methyl methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 25186342

  • Enamine BB Make on Demand

    • BBV-34276202

  • UORSY BB Make-on-demand

    • BBV-34276202

  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)	2.37	4.42	-7.64	1	4	0	56	238.283	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC52249480
• 32143852
  

  Analogs

  38338041

  

  38338042

  

  52249267

  

  52249268

  

  52249269

  

  Popular Name: methyl methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 577954
    • 12470631

  • SureChEMBL

    • SCHEMBL7248371

  • Enamine BB Make on Demand

    • BBV-34223682

  • UORSY BB Make-on-demand

    • BBV-34223682

  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)	2.32	5.11	-8.09	1	3	0	47	208.257	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32143852