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• Synonyms (0)
• Vendors (1)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (14)

ZINC37033530

• 37033530

Physical Representations

Activity (Go SEA)

• 16663159
• 16663161
• 4205833
• 4205836
• 8497383
• 8534883
• 4205829
• 8495163
• 4205831
• 36167507
• 36167974
  

  Analogs

  36167975

  

  36167976

  

  36167977

  

  36920915

  

  36920916

  

  Popular Name: (1S,2R,3R)-N-(1,3-benzodioxol-4-ylmethyl)-2,3-dimethyl-cyclohexanamine (1S,2R,3R)-N-(1,3-benzodioxol-4-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43583568

  • Enamine BB Make on Demand

    • BBV-25211418

  • UORSY BB Make-on-demand

    • BBV-25211418

  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)	3.75	7.24	-38.96	2	3	1	35	262.373	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36167974
• 36167975
  

  Analogs

  36920915

  

  36920916

  

  36920917

  

  36920918

  

  37033530

  

  Popular Name: (1S,2R,3S)-N-(1,3-benzodioxol-4-ylmethyl)-2,3-dimethyl-cyclohexanamine (1S,2R,3S)-N-(1,3-benzodioxol-4-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43583568

  • Enamine BB Make on Demand

    • BBV-25211418

  • UORSY BB Make-on-demand

    • BBV-25211418

  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)	3.75	7.64	-37.3	2	3	1	35	262.373	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36167975
• 36167976
  

  Analogs

  36920915

  

  36920916

  

  36920917

  

  36920918

  

  37033530

  

  Popular Name: (1R,2R,3R)-N-(1,3-benzodioxol-4-ylmethyl)-2,3-dimethyl-cyclohexanamine (1R,2R,3R)-N-(1,3-benzodioxol-4-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43583568

  • Enamine BB Make on Demand

    • BBV-25211418

  • UORSY BB Make-on-demand

    • BBV-25211418

  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)	3.75	7.21	-37.83	2	3	1	35	262.373	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36167976
• 36167977
  

  Analogs

  36920915

  

  36920916

  

  36920917

  

  36920918

  

  37033530

  

  Popular Name: (1R,2R,3S)-N-(1,3-benzodioxol-4-ylmethyl)-2,3-dimethyl-cyclohexanamine (1R,2R,3S)-N-(1,3-benzodioxol-4-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43583568

  • Enamine BB Make on Demand

    • BBV-25211418

  • UORSY BB Make-on-demand

    • BBV-25211418

  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)	3.75	7.44	-37.85	2	3	1	35	262.373	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36167977