User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (6)

ZINC37057426

• 37057426

Physical Representations

Activity (Go SEA)

• 48416885
  

  Analogs

  37057426

  

  37057155

  

  Popular Name: 3-bromo-4-hydroxy-N-(4-iodophenyl)-5-methoxy-benzamide 3-bromo-4-hydroxy-N-(4-iodopheny…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 47110185

  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)	4.22	5.4	-8.44	2	4	0	59	448.054	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	4.22	6.33	-40.63	1	4	-1	61	447.046	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC48416885
• 19953162
  

  Analogs

  36751536

  

  37056333

  

  37056636

  

  37057155

  

  37057426

  

  Popular Name: 2-bromo-4-[[(5-fluoro-2-methyl-phenyl)amino]methyl]-6-methoxy-phenol 2-bromo-4-[[(5-fluoro-2-methyl-p…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 28477866

  • Enamine BB Make on Demand

    • BBV-133872

  • UORSY BB Make-on-demand

    • BBV-133872

  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)	4.04	5.88	-7.57	2	3	0	41	340.192	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	4.04	6.65	-42.18	1	3	-1	44	339.184	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19953162
• 982857
  

  Analogs

  19920066

  

  37048367

  

  37048503

  

  37048667

  

  37056144

  

  Popular Name: N-(3-bromo-4,5-dimethoxybenzyl)-N-(3,4-dimethylphenyl)amine N-(3-bromo-4,5-dimethoxybenzyl)-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Specs

    • AH-487/41804046

  • eMolecules

    • 8232979

  • Molport

    • MolPort-002-813-549

  • Mcule

    • MCULE-3390343453

  • ChemDB

    • 6446930

  And 6 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)	4.60	0.18	-5.95	1	3	0	30	350.256	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00982857
• 36795780
  

  Analogs

  37057155

  

  37057278

  

  37057426

  

  Popular Name: 3-bromo-4-ethoxy-N-(4-iodo-2-methyl-phenyl)-5-methoxy-benzamide 3-bromo-4-ethoxy-N-(4-iodo-2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • UORSY Make-on-demand

    • PB30255538

  • PubChem

    • 45764203

  • AKOS (make-on-demand)

    • AKOS008537988

  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)	5.25	9.39	-7.77	1	4	0	48	490.135	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36795780
• 982863
  

  Analogs

  21800719

  

  21819612

  

  36974247

  

  37056144

  

  37057155

  

  Popular Name: (3-bromo-4,5-dimethoxy-benzyl)-(4-methoxyphenyl)amine (3-bromo-4,5-dimethoxy-benzyl)-(…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-003-819-076

  • ChemDB

    • 6446936

  • PubChem

    • 1210691

  • AKOS (make-on-demand)

    • AKOS002631101

  • Ambinter

    • Amb2640777

  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)	3.83	-0.43	-7.48	1	4	0	39	352.228	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00982863
• 2383668
  

  Analogs

  37056144

  

  37057155

  

  37057364

  

  37057426

  

  37105208

  

  Popular Name: 4-bromo-2-[(4-iodoanilino)methyl]-6-methoxybenzenol 4-bromo-2-[(4-iodoanilino)methyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-001-826-923

  • KeyOrganics

    • JS-1711

  • Mcule

    • MCULE-4506608296

  • ChemDB

    • 6486440

  • PubChem

    • 4110151

  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)	4.58	-3.39	-4.97	2	3	0	41	434.071	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02383668