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

ZINC39756079

• 39756079

Physical Representations

Activity (Go SEA)

• 1058564
  

  Analogs

  39741624

  

  39743189

  

  39743884

  

  39744214

  

  39744958

  

  Popular Name: 2-[[4-allyl-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-(3-nitrophenyl)ethanone 2-[[4-allyl-5-[(2,6-dimethylphen…

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  Vendors

  • Vitas-M

    • STK186974

  • eMolecules

    • 2500671

  • Molport

    • MolPort-002-288-812

  • ChemBridge

    • 7953879

  • Mcule

    • MCULE-8285161201

  And 6 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)	4.66	3.41	-17.57	0	8	0	102	438.509	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01058564
• 9578648
  

  Analogs

  39741624

  

  39743189

  

  39743884

  

  39744214

  

  39747441

  

  Popular Name: 2-[[4-allyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-3-nitro-phenyl)-eth 2-[[4-allyl-5-[(3-methylphenoxy)…

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  Vendors

  • Mcule

    • MCULE-7917239018

  • UORSY

    • PB20024337

  • PubChem

    • 16366603

  • Mcule Make-on-demand

    • MCULE-7917239018

  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)	4.69	3.1	-17.68	0	8	0	102	438.509	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC09578648
• 2887200
  

  Analogs

  39743884

  

  39744214

  

  39747536

  

  39751589

  

  39752467

  

  Popular Name: 2-[[4-allyl-5-[(1-methyl-2-naphthoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-(3-nitrophenyl)ethanone 2-[[4-allyl-5-[(1-methyl-2-napht…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK187010

  • eMolecules

    • 2522573

  • Molport

    • MolPort-002-299-533

  • ChemBridge

    • 7987437

  • Mcule

    • MCULE-7853344838

  And 7 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)	5.42	3.07	-18.79	0	8	0	102	474.542	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02887200
• 1069820
  

  Analogs

  39741350

  

  39741624

  

  39743884

  

  39744214

  

  39744952

  

  Popular Name: 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-1-(3-nitrophenyl)ethanone 2-[[4-ethyl-5-(phenoxymethyl)-1,…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 2521741

  • Molport

    • MolPort-002-299-189

  • ChemBridge

    • 7986018

  • Mcule

    • MCULE-1988564296

  • ChEMBL12

    • CHEMBL1433002

  And 6 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)	3.59	12.4	-18.58	0	8	0	103	398.444	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01069820