User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (9)

ZINC45656100

• 45656100

Physical Representations

Activity (Go SEA)

• 19883197
  

  Analogs

  45656098

  

  45656100

  

  45656102

  

  45656104

  

  19883196

  

  Popular Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-methyl-propan-1-amine N-[(1R)-1-(3,4-dihydro-2H-1,5-be…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43190359
    • 28428498

  • Enamine BB Make on Demand

    • BBV-119897

  • UORSY BB Make-on-demand

    • BBV-119897

  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)	2.96	7.24	-43.21	2	3	1	35	250.362	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19883197
• 19883196
  

  Analogs

  19883197

  

  45656098

  

  45656100

  

  45656102

  

  45656104

  

  Popular Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-methyl-propan-1-amine N-[(1S)-1-(3,4-dihydro-2H-1,5-be…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43190359
    • 28428496

  • Enamine BB Make on Demand

    • BBV-119897

  • UORSY BB Make-on-demand

    • BBV-119897

  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)	2.96	7.28	-42.35	2	3	1	35	250.362	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19883196
• 20142633
  

  Analogs

  45656098

  

  45656100

  

  45656102

  

  45656104

  

  Popular Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-methoxy-propan-1-amine N-[(1R)-1-(3,4-dihydro-2H-1,5-be…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43205113
    • 28674011

  • Enamine BB Make on Demand

    • BBV-171402

  • UORSY BB Make-on-demand

    • BBV-171402

  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)	2.09	5.78	-48.37	2	4	1	44	266.361	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20142633
• 20142631
  

  Analogs

  45656098

  

  45656100

  

  45656102

  

  45656104

  

  Popular Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-methoxy-propan-1-amine N-[(1S)-1-(3,4-dihydro-2H-1,5-be…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43205113
    • 28674007

  • Enamine BB Make on Demand

    • BBV-171402

  • UORSY BB Make-on-demand

    • BBV-171402

  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)	2.09	5.78	-48.4	2	4	1	44	266.361	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20142631
• 20188225
  

  Analogs

  45656098

  

  45656100

  

  45656102

  

  45656104

  

  Popular Name: 3-[[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]amino]propan-1-ol 3-[[(1S)-1-(3,4-dihydro-2H-1,5-b…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43206562
    • 28715212

  • Enamine BB Make on Demand

    • BBV-175231

  • UORSY BB Make-on-demand

    • BBV-175231

  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)	1.47	3.34	-48.62	3	4	1	55	252.334	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20188225
• 20188223
  

  Analogs

  45656098

  

  45656100

  

  45656102

  

  45656104

  

  Popular Name: 3-[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]amino]propan-1-ol 3-[[(1R)-1-(3,4-dihydro-2H-1,5-b…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43206562
    • 28715208

  • Enamine BB Make on Demand

    • BBV-175231

  • UORSY BB Make-on-demand

    • BBV-175231

  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)	1.47	3.35	-48.61	3	4	1	55	252.334	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20188223
• 19963036
  

  Analogs

  45656098

  

  45656100

  

  45656102

  

  45656104

  

  45685738

  

  Popular Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-ethoxy-propan-1-amine N-[(1R)-1-(3,4-dihydro-2H-1,5-be…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43196196
    • 28487288

  • Enamine BB Make on Demand

    • BBV-135900

  • UORSY BB Make-on-demand

    • BBV-135900

  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)	2.47	6.76	-48.29	2	4	1	44	280.388	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19963036
• 19963035
  

  Analogs

  45656098

  

  45656100

  

  45656102

  

  45656104

  

  45685738

  

  Popular Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-ethoxy-propan-1-amine N-[(1S)-1-(3,4-dihydro-2H-1,5-be…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43196196
    • 28487286

  • Enamine BB Make on Demand

    • BBV-135900

  • UORSY BB Make-on-demand

    • BBV-135900

  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)	2.47	6.74	-48.27	2	4	1	44	280.388	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19963035
• 19476055
  

  Analogs

  44656057

  

  44656060

  

  45656098

  

  45656100

  

  45656102

  

  Popular Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]propan-1-amine N-[(1S)-1-(3,4-dihydro-2H-1,5-be…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 24698787
    • 28191326

  • Enamine BB Make on Demand

    • BBV-072372

  • UORSY BB Make-on-demand

    • BBV-072372

  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)	2.71	6.72	-44.36	2	3	1	35	236.335	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19476055