User Information

• Synonyms (1)
• Vendors (3)
• Annotations (2)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (4)

ZINC04368444

• 4368444

Physical Representations

Activity (Go SEA)

• 4368451
  

  Analogs

  34528736

  

  34528737

  

  2149718

  

  4368444

  

  Popular Name: bicyclo[3.2.1]oct-6-yl 4-methylbenzene-1-sulfonate bicyclo[3.2.1]oct-6-yl 4-methylb…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 5779242

  • Molport

    • MolPort-002-910-764

  • Maybridge

    • NRB02521

  • PubChem

    • 2825237
    • 11890281

  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)	3.69	-3.36	-8.58	0	3	0	43	280.389	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04368451
• 34528736
  

  Analogs

  5105392

  

  5105393

  

  Popular Name: [(1S,2R)-2-[[(2R)-oxiran-2-yl]methyl]cyclopentyl] [(1S,2R)-2-[[(2R)-oxiran-2-yl]me…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 15312734

  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)	3.02	5.26	-12.7	0	4	0	56	296.388	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34528736
• 34528737
  

  Analogs

  5105392

  

  5105393

  

  Popular Name: [(1S,2R)-2-[[(2S)-oxiran-2-yl]methyl]cyclopentyl] [(1S,2R)-2-[[(2S)-oxiran-2-yl]me…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 15312734

  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)	3.02	5.28	-10.92	0	4	0	56	296.388	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34528737
• 2149718
  

  Analogs

  4368444

  

  4368451

  

  4954256

  

  4954260

  

  4954264

  

  Popular Name: 4-methylbenzenesulfonic-acid-[(1R,5S)-8-bicyclo[3.2.1]octanyl]-ester 4-methylbenzenesulfonic-acid-[(1…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Aldrich CPR

    • S958069|ALDRICH

  • TimTec

    • ST50558195

  • ChemDB

    • 6678895

  • PubChem

    • 4191629

  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)	3.69	7.12	-8.55	0	3	0	43	280.389	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02149718