User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (5)

ZINC37056145

• 37056145

Physical Representations

Activity (Go SEA)

• 21031047
  

  Analogs

  21031053

  

  21793126

  

  21793131

  

  21793392

  

  21793399

  

  Popular Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-methyl-aniline N-[(1R)-1-(1-adamantyl)ethyl]-4-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43102919
    • 29283615

  • Enamine BB Make on Demand

    • BBR-037688

  • UORSY BB Make-on-demand

    • BBR-037688

  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)	6.18	10.38	-1.89	1	1	0	12	269.432	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21031047
• 6627355
  

  Analogs

  21031047

  

  21031053

  

  21793126

  

  21793131

  

  21793392

  

  Popular Name: N-(p-tolyl)adamantan-2-amine N-(p-tolyl)adamantan-2-amine

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK045867

  • eMolecules

    • 46352852

  • Molport

    • MolPort-002-935-943

  • ChemDB

    • 5820196

  • PubChem

    • 3442865

  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)	5.68	9.38	-1.67	1	1	0	12	241.378	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC06627355
• 20479171
  

  Analogs

  37055568

  

  37055800

  

  37055802

  

  37055810

  

  37055824

  

  Popular Name: 3-iodo-N-[(1S,3R)-3-methylcyclohexyl]aniline 3-iodo-N-[(1S,3R)-3-methylcycloh…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43124618
    • 28977369

  • Enamine BB Make on Demand

    • BBV-239117

  • UORSY BB Make-on-demand

    • BBV-239117

  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)	5.43	8.36	-2.56	1	1	0	12	315.198	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20479171
• 20479188
  

  Analogs

  37055800

  

  37055810

  

  37055824

  

  37055828

  

  37055830

  

  Popular Name: N-[(1R,2R)-2-tert-butylcyclohexyl]-3-iodo-aniline N-[(1R,2R)-2-tert-butylcyclohexy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43124619
    • 28977382

  • UORSY BB Make-on-demand

    • BBV-239118

  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)	6.99	10.78	-1.9	1	1	0	12	357.279	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20479188
• 20478822
  

  Analogs

  37055800

  

  37055810

  

  37055824

  

  37055828

  

  37055830

  

  Popular Name: N-[(1R)-1-(1-adamantyl)ethyl]-3-iodo-aniline N-[(1R)-1-(1-adamantyl)ethyl]-3-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43124566
    • 28977191

  • UORSY BB Make-on-demand

    • BBV-239048

  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)	6.79	10.81	-2.14	1	1	0	12	381.301	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20478822