User Information

• Synonyms (0)
• Vendors (2)
• Annotations (0)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (16)

ZINC20929140

• 20929140

Physical Representations

Activity (Go SEA)

• 34991055
  

  Analogs

  70136827

  

  70136828

  

  20929127

  

  20929133

  

  Popular Name: 1-(5-bromo-2-propoxy-phenyl)-N-(cyclohexylmethyl)methanamine 1-(5-bromo-2-propoxy-phenyl)-N-(…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43220453

  • Enamine BB Make on Demand

    • BBV-27100485

  • UORSY BB Make-on-demand

    • BBV-27100485

  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)	5.46	10.3	-38.08	2	2	1	26	341.313	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34991055
• 34991163
  

  Analogs

  34991164

  

  20929146

  

  20929121

  

  Popular Name: (2S)-N-[(5-bromo-2-propoxy-phenyl)methyl]-6-methyl-heptan-2-amine (2S)-N-[(5-bromo-2-propoxy-pheny…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43220559

  • Enamine BB Make on Demand

    • BBV-27100647

  • UORSY BB Make-on-demand

    • BBV-27100647

  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)	5.93	11.15	-35.41	2	2	1	26	357.356	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34991163
• 34991164
  

  Analogs

  20929146

  

  20929121

  

  Popular Name: (2R)-N-[(5-bromo-2-propoxy-phenyl)methyl]-6-methyl-heptan-2-amine (2R)-N-[(5-bromo-2-propoxy-pheny…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43220559

  • Enamine BB Make on Demand

    • BBV-27100647

  • UORSY BB Make-on-demand

    • BBV-27100647

  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)	5.93	11.14	-35.02	2	2	1	26	357.356	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34991164
• 34991330
  

  Analogs

  34991331

  

  20929121

  

  20929146

  

  Popular Name: (2S)-N-[(5-bromo-2-propoxy-phenyl)methyl]-5-methyl-hexan-2-amine (2S)-N-[(5-bromo-2-propoxy-pheny…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43220690

  • Enamine BB Make on Demand

    • BBV-27100820

  • UORSY BB Make-on-demand

    • BBV-27100820

  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)	5.42	10.36	-35.01	2	2	1	26	343.329	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34991330
• 34991331
  

  Analogs

  20929121

  

  20929146

  

  Popular Name: (2R)-N-[(5-bromo-2-propoxy-phenyl)methyl]-5-methyl-hexan-2-amine (2R)-N-[(5-bromo-2-propoxy-pheny…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43220690

  • Enamine BB Make on Demand

    • BBV-27100820

  • UORSY BB Make-on-demand

    • BBV-27100820

  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)	5.42	10.36	-34.75	2	2	1	26	343.329	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34991331
• 34991637
  

  Analogs

  34991638

  

  34991639

  

  34991640

  

  34991718

  

  34991719

  

  Popular Name: (1R,2S,3S)-N-[(5-bromo-2-propoxy-phenyl)methyl]-2,3-dimethyl-cyclohexanamine (1R,2S,3S)-N-[(5-bromo-2-propoxy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43220862

  • Enamine BB Make on Demand

    • BBV-27101027

  • UORSY BB Make-on-demand

    • BBV-27101027

  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)	5.56	10.3	-35.25	2	2	1	26	355.34	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34991637
• 34991638
  

  Analogs

  34991639

  

  34991640

  

  34991718

  

  34991719

  

  34991720

  

  Popular Name: (1S,2S,3S)-N-[(5-bromo-2-propoxy-phenyl)methyl]-2,3-dimethyl-cyclohexanamine (1S,2S,3S)-N-[(5-bromo-2-propoxy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43220862

  • Enamine BB Make on Demand

    • BBV-27101027

  • UORSY BB Make-on-demand

    • BBV-27101027

  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)	5.56	10.26	-34.67	2	2	1	26	355.34	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34991638
• 34991639
  

  Analogs

  34991640

  

  34991718

  

  34991719

  

  34991720

  

  34991721

  

  Popular Name: (1R,2S,3R)-N-[(5-bromo-2-propoxy-phenyl)methyl]-2,3-dimethyl-cyclohexanamine (1R,2S,3R)-N-[(5-bromo-2-propoxy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43220862

  • Enamine BB Make on Demand

    • BBV-27101027

  • UORSY BB Make-on-demand

    • BBV-27101027

  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)	5.56	10.7	-33.42	2	2	1	26	355.34	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34991639
• 34991640
  

  Analogs

  20929140

  

  20929133

  

  Popular Name: (1S,2S,3R)-N-[(5-bromo-2-propoxy-phenyl)methyl]-2,3-dimethyl-cyclohexanamine (1S,2S,3R)-N-[(5-bromo-2-propoxy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43220862

  • Enamine BB Make on Demand

    • BBV-27101027

  • UORSY BB Make-on-demand

    • BBV-27101027

  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)	5.56	10.5	-34.94	2	2	1	26	355.34	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34991640
• 34991718
  

  Analogs

  34991719

  

  34991720

  

  34991721

  

  37294498

  

  37294499

  

  Popular Name: (1R,2S)-N-[(5-bromo-2-propoxy-phenyl)methyl]-2-methyl-cyclohexanamine (1R,2S)-N-[(5-bromo-2-propoxy-ph…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43220895

  • Enamine BB Make on Demand

    • BBV-27101060

  • UORSY BB Make-on-demand

    • BBV-27101060

  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)	5.32	9.84	-34.66	2	2	1	26	341.313	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34991718
• 34991719
  

  Analogs

  34991720

  

  34991721

  

  37294498

  

  37294499

  

  37294500

  

  Popular Name: (1S,2S)-N-[(5-bromo-2-propoxy-phenyl)methyl]-2-methyl-cyclohexanamine (1S,2S)-N-[(5-bromo-2-propoxy-ph…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43220895

  • Enamine BB Make on Demand

    • BBV-27101060

  • UORSY BB Make-on-demand

    • BBV-27101060

  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)	5.32	10.02	-34.4	2	2	1	26	341.313	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34991719
• 34991720
  

  Analogs

  34991721

  

  37294498

  

  37294499

  

  37294500

  

  37294501

  

  Popular Name: (1R,2R)-N-[(5-bromo-2-propoxy-phenyl)methyl]-2-methyl-cyclohexanamine (1R,2R)-N-[(5-bromo-2-propoxy-ph…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43220895

  • Enamine BB Make on Demand

    • BBV-27101060

  • UORSY BB Make-on-demand

    • BBV-27101060

  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)	5.32	10.02	-34.3	2	2	1	26	341.313	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34991720
• 34991721
  

  Analogs

  37294498

  

  37294499

  

  37294500

  

  37294501

  

  20929140

  

  Popular Name: (1S,2R)-N-[(5-bromo-2-propoxy-phenyl)methyl]-2-methyl-cyclohexanamine (1S,2R)-N-[(5-bromo-2-propoxy-ph…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43220895

  • Enamine BB Make on Demand

    • BBV-27101060

  • UORSY BB Make-on-demand

    • BBV-27101060

  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)	5.32	9.84	-35.03	2	2	1	26	341.313	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34991721
• 34991903
  

  Analogs

  20929121

  

  20929146

  

  Popular Name: N-[(5-bromo-2-propoxy-phenyl)methyl]-4-methyl-cyclohexanamine N-[(5-bromo-2-propoxy-phenyl)met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43220996

  • Enamine BB Make on Demand

    • BBV-27101194

  • UORSY BB Make-on-demand

    • BBV-27101194

  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)	4.85	9.97	-35.96	2	2	1	26	341.313	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34991903
• 20929127
  

  Analogs

  20929133

  

  20929140

  

  34991055

  

  34991163

  

  34991164

  

  Popular Name: (1S)-1-(1-adamantyl)-N-[(5-bromo-2-propoxy-phenyl)methyl]ethanamine (1S)-1-(1-adamantyl)-N-[(5-bromo…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Scientific Exchange (make on demand)

    • F-299001

  • PubChem

    • 49929822

  • AKOS (make-on-demand)

    • AKOS002635288

  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)	6.44	12.56	-38.92	2	2	1	26	407.416	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20929127
• 20929133
  

  Analogs

  20929140

  

  34991055

  

  34991163

  

  34991164

  

  34991330

  

  Popular Name: (1R)-1-(1-adamantyl)-N-[(5-bromo-2-propoxy-phenyl)methyl]ethanamine (1R)-1-(1-adamantyl)-N-[(5-bromo…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Scientific Exchange (make on demand)

    • F-299001

  • PubChem

    • 49929822

  • AKOS (make-on-demand)

    • AKOS002635288

  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)	6.44	12.55	-38.44	2	2	1	26	407.416	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20929133