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• Synonyms (0)
• Vendors (0)
• Annotations (2)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (5)

ZINC04419729

• 4419729

Physical Representations

Activity (Go SEA)

• 20427672
  

  Analogs

  4144583

  

  4185499

  

  4185501

  

  Popular Name: 3-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole 3-ethyl-5-[(4-nitrophenyl)methyl…

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  Vendors

  • Scientific Exchange (make on demand)

    • F-135518

  • PubChem

    • 17137323

  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)	3.87	13.02	-12.23	0	6	0	77	340.408	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20427672
• 20838664
  

  Analogs

  4186988

  

  4356679

  

  4419729

  

  Popular Name: 3-tert-butyl-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole 3-tert-butyl-5-[(4-nitrophenyl)m…

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  Vendors

  • Scientific Exchange (make on demand)

    • F-287322

  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)	5.02	13.59	-12.18	0	6	0	77	368.462	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20838664
• 58165624
  

  Analogs

  4185499

  

  4185501

  

  Popular Name: (1S)-1-[4-(4-chlorophenyl)-5-[(2-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-dimethyl-ethana (1S)-1-[4-(4-chlorophenyl)-5-[(2…

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  Vendors

  • PubChem

    • 60351802

  • AKOS (make-on-demand)

    • AKOS008321043

  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)	4.30	14.19	-43.94	1	7	1	81	418.93	7	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	4.30	11.74	-14.83	0	7	0	80	417.922	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC58165624
• 3376523
  

  Analogs

  3376527

  

  4185499

  

  4185501

  

  4419729

  

  4419738

  

  Popular Name: [(1S)-1-[4-(4-chlorophenyl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]ethyl]-dimethyl-ammonium [(1S)-1-[4-(4-chlorophenyl)-5-[(…

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  Vendors

  • PubChem

    • 2494483
    • 45654357

  • AKOS (make-on-demand)

    • AKOS008321421

  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)	4.35	14.3	-44.24	1	7	1	81	418.93	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC03376523
• 3376527
  

  Analogs

  4185499

  

  4185501

  

  4419729

  

  4419738

  

  16567593

  

  Popular Name: [(1R)-1-[4-(4-chlorophenyl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]ethyl]-dimethyl-ammonium [(1R)-1-[4-(4-chlorophenyl)-5-[(…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 2494477
    • 45654357

  • AKOS (make-on-demand)

    • AKOS008321421

  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)	4.35	14.32	-42.92	1	7	1	81	418.93	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC03376527