User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (3)

ZINC42874247

• 42874247

Physical Representations

Activity (Go SEA)

• 13983
  

  Analogs

  42873632

  

  42873640

  

  42873775

  

  42873806

  

  42873976

  

  Popular Name: N-[(6-benzyloxybenzo[1,3]dioxol-5-yl)methyl]-N-ethyl-ethanamine N-[(6-benzyloxybenzo[1,3]dioxol-…

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  Vendors

  • PubChem

    • 67819957
    • 18960554

  • SureChEMBL

    • SCHEMBL9292582

  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)	3.96	1.71	-33.47	1	4	1	32	314.405	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00013983
• 42874138
  

  Analogs

  42874142

  

  42874166

  

  42874206

  

  42874210

  

  42874212

  

  Popular Name: 1-(6-ethoxy-1,3-benzodioxol-5-yl)-N-methyl-methanamine 1-(6-ethoxy-1,3-benzodioxol-5-yl…

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  Vendors

  • PubChem

    • 61614198

  • Enamine BB Make on Demand

    • BBV-33875515

  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)	1.75	3.34	-39.7	2	4	1	44	210.253	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42874138
• 16480567
  

  Analogs

  20874594

  

  42873773

  

  42874227

  

  42874229

  

  42874247

  

  Popular Name: Benzo[1,3]dioxol-5-ylmethyl-(2-benzyloxy-5-bromo-benzyl)-amine Benzo[1,3]dioxol-5-ylmethyl-(2-b…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK513161

  • eMolecules

    • 14329912

  • Molport

    • MolPort-000-937-082

  • Mcule

    • MCULE-5912385460

  • Molport BB

    • MolPort-000-937-082

  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)	5.17	10.91	-47.29	2	4	1	44	427.318	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC16480567