User Information

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

ZINC70514348

• 70514348

Physical Representations

Activity (Go SEA)

• 49751765
  

  Analogs

  70513062

  

  70513063

  

  70513064

  

  70513211

  

  70513212

  

  Popular Name: [(2S)-1-(cyclohexylmethyl)-2-piperidyl]methanol [(2S)-1-(cyclohexylmethyl)-2-pip…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60684775

  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)	2.89	5.97	-29.94	2	2	1	25	212.357	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49751765
• 49751763
  

  Analogs

  70513389

  

  70513390

  

  70513393

  

  70513394

  

  70513395

  

  Popular Name: [(2R)-1-(cyclohexylmethyl)-2-piperidyl]methanol [(2R)-1-(cyclohexylmethyl)-2-pip…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60684775

  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)	2.89	5.31	-29.91	2	2	1	25	212.357	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49751763
• 53045681
  

  Analogs

  53114076

  

  53117263

  

  53117266

  

  53117268

  

  53117273

  

  Popular Name: [1-(cyclopentylmethylamino)cyclopentyl]methanol [1-(cyclopentylmethylamino)cyclo…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 62524323

  • Enamine BB Make on Demand

    • BBV-34321046

  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)	2.72	3.92	-37.01	3	2	1	37	198.33	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC53045681
• 59508686
  

  Analogs

  70513121

  

  70513122

  

  70513139

  

  70513140

  

  70513141

  

  Popular Name: 2-butyl-2-(dibutylamino)propane-1,3-diol 2-butyl-2-(dibutylamino)propane-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 20253024

  • SureChEMBL

    • SCHEMBL10949520

  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)	3.96	4.78	-28.06	3	3	1	45	260.442	12	↓ MOL2 SDF SMILES Flexibase

  More about ZINC59508686
• 37492093
  

  Analogs

  44133155

  

  44133157

  

  44133159

  

  44133161

  

  44133175

  

  Popular Name: (1S,2R)-2-[[(1R)-1-cyclopropylethyl]-methyl-amino]cyclohexanol (1S,2R)-2-[[(1R)-1-cyclopropylet…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60724060

  • Enamine BB Make on Demand

    • BBV-33804742

  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)	2.30	5.1	-27.94	2	2	1	25	198.33	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37492093
• 37492092
  

  Analogs

  44133155

  

  44133157

  

  44133159

  

  44133161

  

  44133175

  

  Popular Name: (1S,2R)-2-[[(1S)-1-cyclopropylethyl]-methyl-amino]cyclohexanol (1S,2R)-2-[[(1S)-1-cyclopropylet…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60724060

  • Enamine BB Make on Demand

    • BBV-33804742

  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)	2.30	5.13	-28.34	2	2	1	25	198.33	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37492092
• 50107070
  

  Analogs

  70513832

  

  70513861

  

  70513862

  

  70514019

  

  70514025

  

  Popular Name: 2-[cyclopentyl(cyclopentylmethyl)amino]ethanol 2-[cyclopentyl(cyclopentylmethyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 62014491

  • Enamine BB Make on Demand

    • BBV-33748632
    • BBV-33789389

  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)	2.89	6.14	-30.06	2	2	1	25	212.357	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC50107070
• 43763923
  

  Analogs

  70513389

  

  70513390

  

  70513395

  

  70513396

  

  70513533

  

  Popular Name: (2S,4S,5R)-2-Hydroxymethyl-5-ethylquinuclidine (2S,4S,5R)-2-Hydroxymethyl-5-eth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Tractus

    • TRA0041241

  • PubChem

    • 16213629

  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)	1.58	3.23	-28.06	2	2	1	25	170.276	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43763923
• 51295002
  

  Analogs

  70513832

  

  70513853

  

  70513854

  

  70513855

  

  70513856

  

  Popular Name: [(2R)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]pyrrolidin-2-yl]methanol [(2R)-1-[[1-(hydroxymethyl)cyclo…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 62265650

  • Enamine BB Make on Demand

    • BBV-34221443

  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)	0.95	1.87	-33.05	3	3	1	45	214.329	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC51295002