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• Synonyms (0)
• Vendors (10)
• Annotations (2)
• Representations (3)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (2)

ZINC19831608

• 19831608

Physical Representations

Activity (Go SEA)

• 21792431
  

  Analogs

  19831611

  

  Popular Name: (1S,5R)-1-(aminomethyl)-N,3,3,5-tetramethyl-N-(p-tolylmethyl)cyclohexan-1-amine (1S,5R)-1-(aminomethyl)-N,3,3,5-…

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  Vendors

  • PubChem

    • 43108183

  • UORSY BB Make-on-demand

    • BBR-053264

  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)	3.63	9.72	-119.65	4	2	2	32	290.495	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.63	9.59	-50.53	3	2	1	31	289.487	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.63	9.43	-28.25	3	2	1	30	289.487	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21792431
• 39971510
  

  Analogs

  19831613

  

  Popular Name: 1-(1-adamantyl)-4-(p-tolylmethyl)piperazine 1-(1-adamantyl)-4-(p-tolylmethyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45366479

  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)	5.01	10.89	-32.78	1	2	1	8	325.52	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	5.01	8.77	-1.73	0	2	0	6	324.512	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39971510