User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (2)
• Analogs (5)

ZINC37088426

• 37088426

Physical Representations

Activity (Go SEA)

• 19094227
  

  Analogs

  32108535

  

  36890944

  

  36891034

  

  36891063

  

  36891065

  

  Popular Name: 3-[(2-methylbenzyl)amino]benzoic acid 3-[(2-methylbenzyl)amino]benzoic…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Ark Pharm Building Blocks

    • AK111662

  • ChemBridge BuildingBlocks

    • 9071022

  • Fluorochem

    • 316022

  • Molport BB

    • MolPort-008-567-838

  • PubChem

    • 28065566

  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)	3.48	7.43	-52.6	1	3	-1	52	240.282	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19094227
• 529296
  

  Analogs

  32101942

  

  32110855

  

  32110857

  

  37048905

  

  37054213

  

  Popular Name: 3-[(4-fluorobenzyl)amino]benzoic acid 3-[(4-fluorobenzyl)amino]benzoic…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Specs

    • AN-465/41850944

  • Vitas-M

    • STK285808

  • eMolecules

    • 2040619

  • Molport

    • MolPort-000-865-005

  • ChemBridge

    • 7942699

  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)	3.24	0.09	-53.27	1	3	-1	52	244.245	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00529296
• 20881428
  

  Analogs

  36891075

  

  37087472

  

  37087474

  

  37087480

  

  37087563

  

  Popular Name: 4-methyl-3-(o-tolylmethylamino)benzoic 4-methyl-3-(o-tolylmethylamino)b…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Scientific Exchange (make on demand)

    • F-025936

  • PubChem

    • 29190429
    • 17059873

  • AKOS (make-on-demand)

    • AKOS002623449

  • Enamine BB Make on Demand

    • BBV-27118461

  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)	3.88	8.13	-55.58	1	3	-1	52	254.309	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20881428
• 20395741
  

  Analogs

  32101942

  

  32110855

  

  37047340

  

  37047448

  

  37054219

  

  Popular Name: 3-[(2-fluorophenyl)methylamino]-4-methyl-benzoic 3-[(2-fluorophenyl)methylamino]-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Scientific Exchange (make on demand)

    • F-025929

  • PubChem

    • 28915065
    • 17059866

  • Ambinter

    • Amb2012570

  • Enamine BB Make on Demand

    • BBV-27118468

  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)	3.60	7.53	-57.63	1	3	-1	52	258.272	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20395741
• 16578420
  

  Analogs

  32110855

  

  37048905

  

  37087452

  

  37087453

  

  37087478

  

  Popular Name: 3-[(4-fluorobenzyl)amino]-4-methylbenzoic acid 3-[(4-fluorobenzyl)amino]-4-meth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Specs

    • AN-465/43411619

  • Vitas-M

    • STK511730

  • eMolecules

    • 6027081

  • ChemBridge

    • 9077555

  • Mcule

    • MCULE-1509228277

  And 10 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)	3.65	7.56	-52.71	1	3	-1	52	258.272	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC16578420