User Information

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

ZINC31975764

• 31975764

Physical Representations

Activity (Go SEA)

• 107257
  

  Analogs

  31975718

  

  31975719

  

  31975725

  

  31975727

  

  31975728

  

  Popular Name: butyric-acid-(2-ethoxy-4-formyl-phenyl)-ester butyric-acid-(2-ethoxy-4-formyl-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 2503755

  • Molport

    • MolPort-002-290-339

  • BioBlocks

    • A3190/0135132

  • ChemBridge

    • 7958833

  • Chemical Block

    • A3190/0135132

  And 7 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)	2.47	3.62	-12.66	0	4	0	52	236.267	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00107257
• 35829
  

  Analogs

  151901

  

  31975719

  

  31975749

  

  31975751

  

  31975752

  

  Popular Name: 2-Ethoxy-4-formylphenyl cyclopropanecarboxylate 2-Ethoxy-4-formylphenyl cyclopro…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK011836

  • Vitas-M BB

    • BBL013534

  • eMolecules

    • 836772

  • Molport

    • MolPort-000-886-098

  • AK Scientific

    • 9868AD

  And 20 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)	1.91	7.68	-13.08	0	4	0	53	234.251	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00035829
• 151901
  

  Analogs

  31975719

  

  31975749

  

  31975751

  

  31975752

  

  31975759

  

  Popular Name: 4-Formyl-2-methoxyphenyl cyclopropanecarboxylate 4-Formyl-2-methoxyphenyl cyclopr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK408906

  • Vitas-M BB

    • BBL013653

  • eMolecules

    • 848702

  • AK Scientific

    • 2025AE

  • Alfa-Aesar

    • H50486

  And 22 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)	1.53	6.77	-12.14	0	4	0	53	220.224	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00151901
• 88486
  

  Analogs

  31975719

  

  31975725

  

  31975728

  

  31975764

  

  31975767

  

  Popular Name: 2-Ethoxy-4-formylphenyl propionate 2-Ethoxy-4-formylphenyl propionate

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Specs Building Blocks

    • AG-205/40650324

  • Vitas-M

    • STK349176

  • Vitas-M BB

    • BBL016216

  • eMolecules

    • 848724

  • Molport

    • MolPort-000-889-841

  And 24 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)	1.91	6.88	-13.02	0	4	0	53	222.24	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00088486
• 88488
  

  Analogs

  31975719

  

  31975725

  

  31975764

  

  31975888

  

  31975890

  

  Popular Name: 5-formyl-2-methoxyphenyl propionate 5-formyl-2-methoxyphenyl propionate

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Specs Building Blocks

    • AG-205/40650325

  • Vitas-M

    • STK764535

  • eMolecules

    • 6774295

  • Molport

    • MolPort-001-521-993

  • BioBlocks

    • A2514/0106804

  And 12 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)	1.54	5.98	-14.8	0	4	0	53	208.213	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00088488
• 2873266
  

  Analogs

  31975719

  

  31975725

  

  31975764

  

  31975888

  

  31975890

  

  Popular Name: propionic-acid-(4-formyl-2-propionyloxy-phenyl)-ester propionic-acid-(4-formyl-2-propi…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 2498748

  • Molport

    • MolPort-001-530-182

  • ChemBridge

    • 7950727

  • Mcule

    • MCULE-2100118388

  • Scientific Exchange (make on demand)

    • H-079812

  And 5 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)	1.70	4.94	-17.08	0	5	0	69	250.25	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02873266
• 2558348
  

  Analogs

  31975718

  

  31975719

  

  31975725

  

  31975728

  

  31975764

  

  Popular Name: 4-Formyl-2-methoxyphenyl propionate 4-Formyl-2-methoxyphenyl propionate

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK349175

  • Vitas-M BB

    • BBL016215

  • eMolecules

    • 848704

  • Molport

    • MolPort-000-889-829

  • Alinda

    • IVK/1268497

  And 23 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)	1.54	5.97	-12.08	0	4	0	53	208.213	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02558348