User Information

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

ZINC37778997

• 37778997

Physical Representations

Activity (Go SEA)

• 37783237
  

  Analogs

  37783240

  

  37783241

  

  37783242

  

  37783243

  

  37783247

  

  Popular Name: N-cyclohexyl-2-methoxy-4-methyl-aniline N-cyclohexyl-2-methoxy-4-methyl-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 20721804

  • Enamine BB Make on Demand

    • BBV-32140552

  • UORSY BB Make-on-demand

    • BBV-32140552

  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)	4.80	6.76	-3.11	1	2	0	21	219.328	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37783237
• 20552145
  

  Analogs

  37778994

  

  37778995

  

  37778996

  

  37778997

  

  Popular Name: 2-ethoxy-N-[(1R,2R)-2-methylcyclohexyl]aniline 2-ethoxy-N-[(1R,2R)-2-methylcycl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43098823
    • 29040386

  • Enamine BB Make on Demand

    • BBR-025675

  • UORSY BB Make-on-demand

    • BBR-025675

  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)	4.99	7.81	-2.55	1	2	0	21	233.355	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20552145
• 20552146
  

  Analogs

  37778994

  

  37778995

  

  37778996

  

  37778997

  

  Popular Name: 2-ethoxy-N-[(1S,2R)-2-methylcyclohexyl]aniline 2-ethoxy-N-[(1S,2R)-2-methylcycl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43098823
    • 29040387

  • Enamine BB Make on Demand

    • BBR-025675

  • UORSY BB Make-on-demand

    • BBR-025675

  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)	4.99	8.13	-2.42	1	2	0	21	233.355	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20552146
• 37195855
  

  Analogs

  37778994

  

  37778995

  

  37778996

  

  37778997

  

  Popular Name: N-[(1R)-1-cyclohexylethyl]-2-ethoxy-aniline N-[(1R)-1-cyclohexylethyl]-2-eth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43758222

  • Enamine BB Make on Demand

    • BBV-27232456

  • UORSY BB Make-on-demand

    • BBV-27232456

  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)	5.47	8.41	-2.62	1	2	0	21	247.382	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37195855
• 37195854
  

  Analogs

  37778994

  

  37778995

  

  37778996

  

  37778997

  

  Popular Name: N-[(1S)-1-cyclohexylethyl]-2-ethoxy-aniline N-[(1S)-1-cyclohexylethyl]-2-eth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43758222

  • Enamine BB Make on Demand

    • BBV-27232456

  • UORSY BB Make-on-demand

    • BBV-27232456

  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)	5.47	8.42	-2.62	1	2	0	21	247.382	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37195854
• 20552143
  

  Analogs

  37778994

  

  37778995

  

  37778996

  

  37778997

  

  Popular Name: 2-ethoxy-N-[(1R,2S)-2-methylcyclohexyl]aniline 2-ethoxy-N-[(1R,2S)-2-methylcycl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43098823
    • 29040384

  • Enamine BB Make on Demand

    • BBR-025675

  • UORSY BB Make-on-demand

    • BBR-025675

  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)	4.99	8.13	-2.44	1	2	0	21	233.355	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20552143
• 21791293
  

  Analogs

  37778994

  

  37778995

  

  37778996

  

  37778997

  

  19737991

  

  Popular Name: N-[(2S,6S)-2,6-dimethylcyclohexyl]-2-ethoxy-aniline N-[(2S,6S)-2,6-dimethylcyclohexy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43108108
    • 29770204

  • Enamine BB Make on Demand

    • BBR-053043

  • UORSY BB Make-on-demand

    • BBR-053043

  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)	5.23	8.39	-2.35	1	2	0	21	247.382	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21791293
• 21791297
  

  Analogs

  37778994

  

  37778995

  

  37778996

  

  37778997

  

  19737991

  

  Popular Name: N-[(2R,6S)-2,6-dimethylcyclohexyl]-2-ethoxy-aniline N-[(2R,6S)-2,6-dimethylcyclohexy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43108108
    • 29770207

  • Enamine BB Make on Demand

    • BBR-053043

  • UORSY BB Make-on-demand

    • BBR-053043

  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)	5.23	8.63	-2.32	1	2	0	21	247.382	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21791297
• 21791301
  

  Analogs

  37778994

  

  37778995

  

  37778996

  

  37778997

  

  19737991

  

  Popular Name: N-[(2R,6R)-2,6-dimethylcyclohexyl]-2-ethoxy-aniline N-[(2R,6R)-2,6-dimethylcyclohexy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43108108
    • 29770209

  • Enamine BB Make on Demand

    • BBR-053043

  • UORSY BB Make-on-demand

    • BBR-053043

  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)	5.23	8.39	-2.36	1	2	0	21	247.382	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21791301