User Information

• Synonyms (0)
• Vendors (8)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (9)

ZINC04556408

• 4556408

Physical Representations

Activity (Go SEA)

• 4556409
  

  Analogs

  4556420

  

  4556421

  

  22635796

  

  22635802

  

  22635975

  

  Popular Name: (4-ethoxy-3-methoxy-phenyl)-ethyl-BLAHol (4-ethoxy-3-methoxy-phenyl)-ethy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK384711

  • eMolecules

    • 2790222

  • Molport

    • MolPort-002-343-414

  • Mcule

    • MCULE-5500592731

  • TimTec

    • ST50864059

  And 4 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)	2.61	-5.55	-42.57	3	6	1	67	388.513	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04556409
• 4556420
  

  Analogs

  4556421

  

  22635796

  

  22635802

  

  22635975

  

  22635981

  

  Popular Name: (3-ethoxy-4-methoxy-phenyl)-ethyl-BLAHol (3-ethoxy-4-methoxy-phenyl)-ethy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK384719

  • eMolecules

    • 2790238

  • Molport

    • MolPort-002-343-422

  • Mcule

    • MCULE-8339066236

  • ChemDB

    • 4553199

  And 2 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)	2.61	-5.36	-42.5	3	6	1	67	388.513	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04556420
• 4556421
  

  Analogs

  22635796

  

  22635802

  

  22635975

  

  22635981

  

  36542278

  

  Popular Name: (3-ethoxy-4-methoxy-phenyl)-ethyl-BLAHol (3-ethoxy-4-methoxy-phenyl)-ethy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK384719

  • eMolecules

    • 2790238

  • Molport

    • MolPort-002-343-422

  • Mcule

    • MCULE-8339066236

  • ChemDB

    • 4553199

  And 2 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)	2.61	-5.56	-42.54	3	6	1	67	388.513	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04556421
• 22635796
  

  Analogs

  36542278

  

  36542279

  

  4556408

  

  Popular Name: (3-ethoxy-4-hydroxy-phenyl)-ethyl-BLAHol (3-ethoxy-4-hydroxy-phenyl)-ethy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK384533

  • eMolecules

    • 2789298

  • Molport

    • MolPort-002-342-980

  • Mcule

    • MCULE-9789148437

  • TimTec

    • ST50902104

  And 4 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)	2.30	2.71	-43.07	4	6	1	79	374.486	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.30	0.4	-11.53	3	6	0	77	373.478	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC22635796
• 22635802
  

  Analogs

  36542278

  

  36542279

  

  4556408

  

  Popular Name: (3-ethoxy-4-hydroxy-phenyl)-ethyl-BLAHol (3-ethoxy-4-hydroxy-phenyl)-ethy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK384533

  • eMolecules

    • 2789298

  • Molport

    • MolPort-002-342-980

  • Mcule

    • MCULE-9789148437

  • TimTec

    • ST50902104

  And 4 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)	2.30	2.51	-43.51	4	6	1	79	374.486	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.30	0.12	-11.58	3	6	0	77	373.478	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC22635802
• 22635975
  

  Analogs

  36542278

  

  36542279

  

  4556408

  

  Popular Name: (3,4-diethoxyphenyl)-ethyl-BLAHol (3,4-diethoxyphenyl)-ethyl-BLAHol

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK384714

  • eMolecules

    • 2790228

  • Molport

    • MolPort-002-343-417

  • Mcule

    • MCULE-8390880223

  • TimTec

    • ST50901155

  And 4 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)	2.99	5.59	-44.24	3	6	1	68	402.54	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.99	3.28	-12.48	2	6	0	66	401.532	6	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	2.99	7.14	-97.75	4	6	2	69	403.548	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC22635975
• 22635981
  

  Analogs

  36542278

  

  36542279

  

  4556408

  

  Popular Name: (3,4-diethoxyphenyl)-ethyl-BLAHol (3,4-diethoxyphenyl)-ethyl-BLAHol

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK384714

  • eMolecules

    • 2790228

  • Molport

    • MolPort-002-343-417

  • Mcule

    • MCULE-8390880223

  • TimTec

    • ST50901155

  And 4 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)	2.99	5.38	-44.65	3	6	1	68	402.54	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.99	2.99	-12.67	2	6	0	66	401.532	6	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	2.99	6.93	-97.76	4	6	2	69	403.548	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC22635981
• 36542278
  

  Analogs

  36542279

  

  22635796

  

  Popular Name: (3-ethoxy-4-hydroxy-phenyl)-methyl-BLAHol (3-ethoxy-4-hydroxy-phenyl)-meth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STL150254

  • Mcule

    • MCULE-5686819328

  • Pharmeks

    • PHAR013269

  • ChemDB

    • 5664520

  • Ambinter

    • Amb4233544

  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)	1.93	1.86	-43.65	4	6	1	79	360.459	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.93	-0.56	-9.96	3	6	0	77	359.451	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36542278
• 36542279
  

  Analogs

  36542278

  

  Popular Name: (3-ethoxy-4-hydroxy-phenyl)-methyl-BLAHol (3-ethoxy-4-hydroxy-phenyl)-meth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STL150254

  • Mcule

    • MCULE-5686819328

  • Pharmeks

    • PHAR013269

  • ChemDB

    • 5664520

  • Ambinter

    • Amb4233544

  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)	1.93	1.87	-44.37	4	6	1	79	360.459	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.93	-0.53	-9.67	3	6	0	77	359.451	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36542279