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

ZINC43896654

• 43896654

Physical Representations

Activity (Go SEA)

• 36169455
  

  Analogs

  43896652

  

  43896654

  

  36169454

  

  Popular Name: (1R)-1-(1,3-benzodioxol-5-yl)-2-[(3S)-3-ethyl-1-piperidyl]ethanamine (1R)-1-(1,3-benzodioxol-5-yl)-2-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43584458

  • Enamine BB Make on Demand

    • BBV-25212416

  • UORSY BB Make-on-demand

    • BBV-25212416

  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)	1.00	6.22	-38.86	3	4	1	49	277.388	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.00	6.64	-139.94	4	4	2	51	278.396	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36169455
• 36169454
  

  Analogs

  36169455

  

  43896652

  

  43896654

  

  Popular Name: (1R)-1-(1,3-benzodioxol-5-yl)-2-[(3R)-3-ethyl-1-piperidyl]ethanamine (1R)-1-(1,3-benzodioxol-5-yl)-2-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43584458

  • Enamine BB Make on Demand

    • BBV-25212416

  • UORSY BB Make-on-demand

    • BBV-25212416

  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)	1.00	6.22	-38.85	3	4	1	49	277.388	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.00	6.59	-140.57	4	4	2	51	278.396	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36169454
• 22563082
  

  Analogs

  43896652

  

  43896654

  

  Popular Name: (1S)-1-(1,3-benzodioxol-5-yl)-2-[(3R,5S)-3,5-dimethyl-1-piperidyl]ethanamine (1S)-1-(1,3-benzodioxol-5-yl)-2-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 30428558

  • UORSY BB Make-on-demand

    • BBV-019460

  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)	0.97	5.74	-36.01	3	4	1	49	277.388	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.97	6.03	-133.09	4	4	2	51	278.396	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC22563082
• 23071547
  

  Analogs

  43896652

  

  43896654

  

  Popular Name: (1S)-1-(1,3-benzodioxol-5-yl)-2-[(3R)-3-methyl-1-piperidyl]ethanamine (1S)-1-(1,3-benzodioxol-5-yl)-2-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 30820750

  • UORSY BB Make-on-demand

    • BBV-032885

  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)	0.50	5.6	-39.84	3	4	1	49	263.361	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.50	5.89	-143.42	4	4	2	51	264.369	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC23071547
• 23071548
  

  Analogs

  43896652

  

  43896654

  

  Popular Name: (1S)-1-(1,3-benzodioxol-5-yl)-2-[(3S)-3-methyl-1-piperidyl]ethanamine (1S)-1-(1,3-benzodioxol-5-yl)-2-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 30820752

  • UORSY BB Make-on-demand

    • BBV-032885

  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)	0.50	5.76	-39.39	3	4	1	49	263.361	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.50	6.05	-143.56	4	4	2	51	264.369	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC23071548
• 36874641
  

  Analogs

  43896652

  

  43896654

  

  Popular Name: (1R)-1-(1,3-benzodioxol-5-yl)-2-[(3S,5R)-3,5-dimethyl-1-piperidyl]ethanamine (1R)-1-(1,3-benzodioxol-5-yl)-2-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 16781166

  • Enamine BB Make on Demand

    • BBV-019460

  • UORSY BB Make-on-demand

    • BBV-019460

  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)	0.97	6.22	-41.97	3	4	1	49	277.388	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.97	6.54	-140.86	4	4	2	51	278.396	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36874641
• 36874642
  

  Analogs

  43896652

  

  43896654

  

  Popular Name: (1R)-1-(1,3-benzodioxol-5-yl)-2-[(3S,5S)-3,5-dimethyl-1-piperidyl]ethanamine (1R)-1-(1,3-benzodioxol-5-yl)-2-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 16781166

  • Enamine BB Make on Demand

    • BBV-019460

  • UORSY BB Make-on-demand

    • BBV-019460

  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)	0.97	6.21	-41	3	4	1	49	277.388	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.97	6.57	-138.03	4	4	2	51	278.396	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36874642
• 36874643
  

  Analogs

  43896652

  

  43896654

  

  23071124

  

  19260222

  

  Popular Name: (1R)-1-(1,3-benzodioxol-5-yl)-2-[(3R,5R)-3,5-dimethyl-1-piperidyl]ethanamine (1R)-1-(1,3-benzodioxol-5-yl)-2-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 16781166

  • Enamine BB Make on Demand

    • BBV-019460

  • UORSY BB Make-on-demand

    • BBV-019460

  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)	0.97	6.22	-41.19	3	4	1	49	277.388	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.97	6.57	-138.67	4	4	2	51	278.396	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36874643
• 36879257
  

  Analogs

  43896652

  

  43896654

  

  23071124

  

  19260222

  

  Popular Name: (1R)-1-(1,3-benzodioxol-5-yl)-2-[(3R)-3-methyl-1-piperidyl]ethanamine (1R)-1-(1,3-benzodioxol-5-yl)-2-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 16792299

  • Enamine BB Make on Demand

    • BBV-032885

  • UORSY BB Make-on-demand

    • BBV-032885

  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)	0.50	5.56	-38.27	3	4	1	49	263.361	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.50	5.93	-138.84	4	4	2	51	264.369	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36879257