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• Synonyms (0)
• Vendors (6)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (17)

ZINC26441871

• 26441871

Physical Representations

Activity (Go SEA)

• 39742723
  

  Analogs

  2883425

  

  Popular Name: 1-(4-methoxy-3-nitro-phenyl)-2-[[5-[(2-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]e 1-(4-methoxy-3-nitro-phenyl)-2-[…

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  Vendors

  • PubChem

    • 45006739

  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)	4.11	14.96	-23.67	0	10	0	121	506.54	11	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39742723
• 39743166
  

  Analogs

  2879770

  

  Popular Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxy-3-nitro-pheny 2-[[5-[(2,6-dimethylphenoxy)meth…

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  Vendors

  • PubChem

    • 45006912

  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)	5.30	16.2	-20.85	0	9	0	112	504.568	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39743166
• 39743175
  

  Analogs

  26441871

  

  Popular Name: 1-(4-methoxy-3-nitro-phenyl)-2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone 1-(4-methoxy-3-nitro-phenyl)-2-[…

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  Vendors

  • PubChem

    • 45006918

  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)	4.50	15.06	-20.98	0	9	0	112	476.514	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39743175
• 39744302
  

  Analogs

  2879770

  

  Popular Name: 2-[[5-[(2,5-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxy-3-nitro-pheny 2-[[5-[(2,5-dimethylphenoxy)meth…

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  Vendors

  • PubChem

    • 45007383

  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)	5.33	16.48	-20.76	0	9	0	112	504.568	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39744302
• 39748337
  

  Analogs

  2883425

  

  Popular Name: 1-(4-ethoxy-3-nitro-phenyl)-2-[[5-[(2-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]et 1-(4-ethoxy-3-nitro-phenyl)-2-[[…

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  Vendors

  • PubChem

    • 45008556

  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)	4.49	15.87	-23.47	0	10	0	121	520.567	12	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39748337
• 39749515
  

  Analogs

  2883425

  

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

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  Vendors

  • PubChem

    • 45009295

  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)	4.51	15.47	-21.04	0	9	0	112	490.541	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39749515
• 39751464
  

  Analogs

  26506417

  

  2879770

  

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

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  Vendors

  • PubChem

    • 45010547

  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)	5.88	17.6	-17.96	0	8	0	103	502.596	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39751464
• 39753015
  

  Analogs

  9146782

  

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

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  Vendors

  • PubChem

    • 45011249

  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)	5.72	16.98	-18.12	0	8	0	103	488.569	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39753015
• 39755730
  

  Analogs

  2879770

  

  Popular Name: 2-[[5-[(2,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxy-3-nitro-pheny 2-[[5-[(2,4-dimethylphenoxy)meth…

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  Vendors

  • PubChem

    • 45012924

  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)	5.33	16.48	-20.77	0	9	0	112	504.568	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39755730
• 39756094
  

  Analogs

  2879770

  

  Popular Name: 2-[[5-[(2,5-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxy-3-nitro-phenyl 2-[[5-[(2,5-dimethylphenoxy)meth…

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  Vendors

  • PubChem

    • 45013261

  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)	5.70	17.39	-20.59	0	9	0	112	518.595	11	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39756094
• 39757187
  

  Analogs

  26441871

  

  Popular Name: 1-(4-methoxy-3-nitro-phenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]e 1-(4-methoxy-3-nitro-phenyl)-2-[…

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  Vendors

  • PubChem

    • 45013604

  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)	4.56	14.35	-21.74	0	10	0	121	506.54	11	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39757187
• 39759287
  

  Analogs

  2879770

  

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

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  Vendors

  • PubChem

    • 45015154

  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)	5.28	16.72	-20.67	0	9	0	112	504.568	11	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39759287
• 39759369
  

  Analogs

  2879770

  

  Popular Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxy-3-nitro-ph 2-[[5-[(2,6-dimethylphenoxy)meth…

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  Vendors

  • PubChem

    • 45015225

  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)	5.75	17.23	-20.86	0	9	0	112	518.595	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39759369
• 39762406
  

  Analogs

  2879770

  

  Popular Name: 2-[[5-[(2,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxy-3-nitro-phenyl 2-[[5-[(2,4-dimethylphenoxy)meth…

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  Vendors

  • PubChem

    • 45017381

  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)	5.70	17.39	-20.58	0	9	0	112	518.595	11	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39762406
• 39762875
  

  Analogs

  9146782

  

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

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  Vendors

  • PubChem

    • 45017776

  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)	5.29	16.31	-18.15	0	8	0	103	474.542	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39762875
• 39763810
  

  Analogs

  2879770

  

  Popular Name: 1-(4-chloro-3-nitro-phenyl)-2-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl 1-(4-chloro-3-nitro-phenyl)-2-[[…

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  Vendors

  • PubChem

    • 45018384

  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)	5.92	16.47	-17.98	0	8	0	103	508.987	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39763810
• 39767759
  

  Analogs

  9668974

  

  Popular Name: 1-(4-ethoxy-3-nitro-phenyl)-2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone 1-(4-ethoxy-3-nitro-phenyl)-2-[(…

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  Vendors

  • PubChem

    • 45019886

  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)	3.78	13.91	-19.3	0	8	0	103	412.471	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39767759