User Information

• Synonyms (4)
• Vendors (11)
• Annotations (4)
• Representations (1)
• Notes (6)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (7)

ZINC01710818

• 1710818

Physical Representations

Vendor Notes

Activity (Go SEA)

• 1710825
  

  Analogs

  1710989

  

  6382253

  

  1710818

  

  Popular Name: 2-[(2R)-2-cyclohexyl-2-hydroxy-2-(p-tolyl)acetyl]oxyethyl-diethyl-ammonium 2-[(2R)-2-cyclohexyl-2-hydroxy-2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 5131935

  • PubChem

    • 420152
    • 24191404

  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)	4.71	2.22	-36.64	2	4	1	50	348.507	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01710825
• 1710989
  

  Analogs

  1778431

  

  1812122

  

  1812123

  

  1835287

  

  2304600

  

  Popular Name: Benzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, 2-(dimethylamino)ethyl ester, hydrochloride; LS-28718; NSC 121811 Benzeneacetic acid, alpha-cycloh…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK067602

  • eMolecules

    • 35776645
    • 1428098

  • Molport

    • MolPort-001-910-147

  • IBScreen

    • STOCK3S-05653

  And 25 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)	3.51	9.2	-37.52	2	4	1	51	306.426	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01710989
• 1778431
  

  Analogs

  6382253

  

  1710818

  

  Popular Name: Benzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, 2-(dimethylamino)ethyl ester, hydrochloride; LS-28718; NSC 121811 Benzeneacetic acid, alpha-cycloh…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK067602

  • eMolecules

    • 35776645
    • 1428098

  • Molport

    • MolPort-001-910-147

  • IBScreen

    • STOCK3S-05653

  And 25 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)	3.51	9.2	-36.11	2	4	1	51	306.426	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01778431
• 1812122
  

  Analogs

  6382253

  

  1710818

  

  Popular Name: Oxyphenonium bromide Oxyphenonium bromide

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STL325089

  • eMolecules

    • 6324209
    • 1307688

  • AK Scientific

    • V0895

  • IBScreen

    • STOCK1S-44852

  And 49 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)	0.29	11.8	-33.62	1	4	1	47	348.507	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01812122
• 1812123
  

  Analogs

  6382253

  

  1710818

  

  Popular Name: Oxyphenonium bromide Oxyphenonium bromide

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STL325089

  • eMolecules

    • 6324209
    • 1307688

  • AK Scientific

    • V0895

  • American Custom Chemicals Corp.

    • NEW0102553

  And 52 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)	0.29	11.8	-32.3	1	4	1	47	348.507	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01812123
• 2304600
  

  Analogs

  6382253

  

  1710818

  

  Popular Name: Demethyloxyphenonium Demethyloxyphenonium

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK707698

  • eMolecules

    • 4483556

  • ChemDiv

    • 4364-0124

  • IBScreen Bioactives

    • Bio-0763

  • Mcule

    • MCULE-8912939368

  And 15 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)	4.27	1.49	-33	2	4	1	50	334.48	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02304600
• 6382253
  

  Analogs

  1710818

  

  Popular Name: 2-diethylaminoethyl 2-diethylaminoethyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 5131935

  • PubChem

    • 420152
    • 24191404

  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)	4.71	2.01	-36.75	2	4	1	50	348.507	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC06382253