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

ZINC39527331

• 39527331

Physical Representations

Activity (Go SEA)

• 16778032
  

  Analogs

  16778082

  

  37811757

  

  37811758

  

  39527329

  

  39527331

  

  Popular Name: (4-chlorophenyl)-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (4-chlorophenyl)-[(4R)-4-ethyl-6…

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  Vendors

  • UORSY Make-on-demand

    • PB117748444

  • PubChem

    • 24504450
    • 27331395

  • AKOS (make-on-demand)

    • AKOS001158237

  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)	3.91	9.18	-6.84	0	2	0	20	305.83	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC16778032
• 16778088
  

  Analogs

  24277017

  

  39527329

  

  39527331

  

  48277312

  

  48277315

  

  Popular Name: [(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-naphthyl)methanone [(4R)-4-ethyl-6,7-dihydro-4H-thi…

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  Vendors

  • eMolecules

    • 44518290

  • Molport

    • MolPort-007-474-565

  • Enamine

    • Z117671148

  • Mcule

    • MCULE-6958638181

  • PubChem

    • 46442293

  And 1 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)	4.42	10.8	-8.38	0	2	0	20	321.445	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC16778088
• 16778098
  

  Analogs

  30547420

  

  39527329

  

  39527331

  

  52567539

  

  52567540

  

  Popular Name: [(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-iodophenyl)methanone [(4S)-4-ethyl-6,7-dihydro-4H-thi…

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  Vendors

  • PubChem

    • 46442292

  • Enamine BB Make on Demand

    • BBV-32831268

  • UORSY BB Make-on-demand

    • BBV-32831268

  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)	4.29	10.14	-9.17	0	2	0	20	397.281	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC16778098
• 16778100
  

  Analogs

  30547420

  

  39527329

  

  39527331

  

  52567539

  

  52567540

  

  Popular Name: [(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-iodophenyl)methanone [(4R)-4-ethyl-6,7-dihydro-4H-thi…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 46442292

  • Enamine BB Make on Demand

    • BBV-32831268

  • UORSY BB Make-on-demand

    • BBV-32831268

  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)	4.29	9.63	-7.96	0	2	0	20	397.281	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC16778100