User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (2)
• Analogs (7)

ZINC36974250

• 36974250

Physical Representations

Activity (Go SEA)

• 29135596
  

  Analogs

  36974127

  

  36974222

  

  36974228

  

  36974230

  

  36974250

  

  Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline N-[(3,4-dimethoxyphenyl)methyl]-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • BindingDB.org

    • 50234488

  • ChEMBL12

    • CHEMBL272036

  • ChEMBL12 10uM

    • CHEMBL272036

  • ChEMBL19

    • CHEMBL272036

  • PubChem

    • 24808344

  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)	4.81	11	-8.75	1	4	0	40	377.484	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC29135596
• 479308
  

  Analogs

  21795098

  

  32117259

  

  32117828

  

  32118135

  

  32119495

  

  Popular Name: N-(3-ethoxy-4-methoxybenzyl)-N-(2-methylphenyl)amine N-(3-ethoxy-4-methoxybenzyl)-N-(…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Specs

    • AH-487/41799372

  • eMolecules

    • 8232855

  • Molport

    • MolPort-002-813-415

  • Mcule

    • MCULE-3392411421

  • ChemDB

    • 6446801

  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)	3.62	0.65	-6.44	1	3	0	30	271.36	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00479308
• 2093853
  

  Analogs

  21795098

  

  36974127

  

  36974250

  

  Popular Name: N-{3-ethoxy-4-[(4-methylbenzyl)oxy]benzyl}-N-(2-ethylphenyl)amine N-{3-ethoxy-4-[(4-methylbenzyl)o…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Specs

    • AH-487/41803892

  • eMolecules

    • 8232969

  • Molport

    • MolPort-002-813-543

  • Mcule

    • MCULE-5852084919

  • ChemDB

    • 6446925

  And 3 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)	6.13	1.29	-7.23	1	3	0	30	375.512	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02093853
• 469860
  

  Analogs

  21795098

  

  32117828

  

  32119495

  

  32119496

  

  32119497

  

  Popular Name: N-(4-ethoxy-3-methoxybenzyl)-N-(2-methylphenyl)amine N-(4-ethoxy-3-methoxybenzyl)-N-(…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Specs

    • AH-487/41804614

  • eMolecules

    • 2307949

  • Molport

    • MolPort-002-122-209

  • ChemBridge

    • 7577371

  • Mcule

    • MCULE-3748765929

  And 8 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)	3.62	0.65	-6.43	1	3	0	30	271.36	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00469860
• 19738073
  

  Analogs

  32108616

  

  32108819

  

  32108821

  

  32117398

  

  32117828

  

  Popular Name: 2-Ethyl-N-(3-isopropoxybenzyl)-6-methylaniline 2-Ethyl-N-(3-isopropoxybenzyl)-6…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Matrix Scientific

    • 031803

  • Tractus

    • TRA0113269

  • Aronis BB Make-on-demand

    • BLOCK22920

  • PubChem

    • 28308485

  • Ambinter

    • Amb20173104

  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)	4.30	10.39	-3.5	1	2	0	21	283.415	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19738073
• 1632290
  

  Analogs

  21809287

  

  21811569

  

  21812340

  

  21812341

  

  36974250

  

  Popular Name: (4-propylphenyl)-(3,4,5-trimethoxybenzyl)amine (4-propylphenyl)-(3,4,5-trimetho…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • NCI Plated 2007

    • 650767

  • BindingDB.org

    • 50045729

  • ChEMBL12

    • CHEMBL94594
    • CHEMBL1179699

  • ChEMBL19

    • CHEMBL94594

  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)	4.13	1.14	-7.57	1	4	0	39	315.413	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01632290
• 263337
  

  Analogs

  32108821

  

  32118135

  

  32118327

  

  32119495

  

  32119496

  

  Popular Name: (3-ethoxy-4-methoxy-benzyl)-phenyl-amine (3-ethoxy-4-methoxy-benzyl)-phen…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK145895

  • eMolecules

    • 1091192

  • Molport

    • MolPort-001-505-203

  • Asinex

    • BAS01125408

  • ChemBridge

    • 5539449

  And 18 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)	3.22	0.12	-6.37	1	3	0	30	257.333	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00263337