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

ZINC12135714

• 12135714

Physical Representations

Activity (Go SEA)

• 16568952
  

  Analogs

  16569026

  

  16569027

  

  35226290

  

  35226291

  

  45965423

  

  Popular Name: 1-[[5-benzylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-3-cyclohexyl-urea 1-[[5-benzylsulfanyl-4-(p-tolyl)…

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  Vendors

  • ChemDB

    • 5978347

  • PubChem

    • 3591254

  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)	4.92	12.97	-11.48	2	6	0	72	435.597	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC16568952
• 33749862
  

  Analogs

  35226290

  

  35226291

  

  45965423

  

  16569026

  

  Popular Name: 1-(1-adamantyl)-3-[[5-(o-tolylmethylsulfanyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]urea 1-(1-adamantyl)-3-[[5-(o-tolylme…

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  Vendors

  • ChemDB

    • 5894820

  • PubChem

    • 3649196

  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)	6.33	15	-13.34	2	6	0	72	501.7	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC33749862
• 34849212
  

  Analogs

  45965423

  

  15067639

  

  Popular Name: 3-chloro-2,2-dimethyl-N-[[5-(o-tolylmethylsulfanyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]propanamid 3-chloro-2,2-dimethyl-N-[[5-(o-t…

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  Vendors

  • ChemDB

    • 5893442

  • PubChem

    • 4387149

  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)	5.18	13.76	-9.41	1	5	0	60	443.016	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34849212
• 4371355
  

  Analogs

  6245361

  

  9874495

  

  9877934

  

  12134392

  

  12135714

  

  Popular Name: 1-[[5-benzylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-3-tert-butyl-urea 1-[[5-benzylsulfanyl-4-(p-tolyl)…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 5978350

  • PubChem

    • 3971354

  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)	4.20	11.49	-11.1	2	6	0	72	409.559	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04371355
• 6663543
  

  Analogs

  9874495

  

  9877934

  

  11228890

  

  12134392

  

  12134637

  

  Popular Name: 1-butyl-3-[[5-(o-tolylmethylsulfanyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]urea 1-butyl-3-[[5-(o-tolylmethylsulf…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 8031897

  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)	4.85	-1.6	-11.45	2	6	0	71	423.586	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC06663543