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• Synonyms (0)
• Vendors (0)
• Annotations (2)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (9)

ZINC16569085

• 16569085

Physical Representations

Activity (Go SEA)

• 14993818
  

  Analogs

  16567697

  

  16567698

  

  16567699

  

  16567700

  

  16567719

  

  Popular Name: 1-(4-chlorophenyl)-N-[[4-(4-fluorophenyl)-5-(4-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]cycl 1-(4-chlorophenyl)-N-[[4-(4-fluo…

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  Vendors

  • eMolecules

    • 20715327

  • Molport

    • MolPort-005-148-050

  • ChemBridge

    • 86580786

  • Collaborative Drug Discovery

    • 632819

  • PubChem

    • 26349105

  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)	3.83	13.74	-11.84	1	6	0	73	493.995	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC14993818
• 9369049
  

  Analogs

  16567738

  

  16568608

  

  16568773

  

  16569084

  

  16569085

  

  Popular Name: N-[[5-butylsulfanyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]methyl]-2-phenyl-acetamide N-[[5-butylsulfanyl-4-(3,4-dichl…

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  Vendors

  • eMolecules

    • 5432588

  • Molport

    • MolPort-003-017-175

  • ChemDiv

    • K400-07748

  • Life Chemicals

    • F0508-2748

  • Mcule

    • MCULE-2481281577

  And 4 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)	5.37	-0.06	-10.76	1	5	0	59	449.407	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC09369049
• 12151704
  

  Analogs

  15005265

  

  16567738

  

  16567754

  

  16568186

  

  16568187

  

  Popular Name: N-[[5-[(2-chlorophenyl)methylsulfanyl]-4-(o-tolyl)-1,2,4-triazol-3-yl]methyl]-2-methyl-propanamide N-[[5-[(2-chlorophenyl)methylsul…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 20606319

  • Molport

    • MolPort-005-095-289

  • ChemBridge

    • 52340127

  • Collaborative Drug Discovery

    • 616551

  • PubChem

    • 42432007

  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)	4.60	12.8	-12.14	1	5	0	60	414.962	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC12151704
• 15005265
  

  Analogs

  16567738

  

  16567754

  

  16568186

  

  16568187

  

  16568188

  

  Popular Name: N-[[5-[(2-chlorophenyl)methylsulfanyl]-4-(o-tolyl)-1,2,4-triazol-3-yl]methyl]propanamide N-[[5-[(2-chlorophenyl)methylsul…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 20732483

  • Molport

    • MolPort-005-156-459

  • ChemBridge

    • 92815002

  • Collaborative Drug Discovery

    • 635335

  • PubChem

    • 26360849

  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)	4.35	12.14	-12.66	1	5	0	60	400.935	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC15005265
• 12243885
  

  Analogs

  16567754

  

  16568186

  

  16568187

  

  16568188

  

  16568606

  

  Popular Name: N-[[5-[(2-chlorophenyl)methylsulfanyl]-4-(o-tolyl)-1,2,4-triazol-3-yl]methyl]cyclopropanecarboxamide N-[[5-[(2-chlorophenyl)methylsul…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 20672145

  • Molport

    • MolPort-005-126-960

  • ChemBridge

    • 71809123

  • Collaborative Drug Discovery

    • 626351

  • PubChem

    • 42481198

  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)	4.34	0.04	-12.64	1	5	0	60	412.946	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC12243885
• 12152668
  

  Analogs

  16567754

  

  16568186

  

  16568187

  

  16568188

  

  16568662

  

  Popular Name: N-[[5-[(2-chlorophenyl)methylsulfanyl]-4-(o-tolyl)-1,2,4-triazol-3-yl]methyl]pent-4-enamide N-[[5-[(2-chlorophenyl)methylsul…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 20621657

  • Molport

    • MolPort-005-102-564

  • ChemBridge

    • 56480027

  • Collaborative Drug Discovery

    • 618883

  • PubChem

    • 42433095

  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)	4.90	13.46	-12.39	1	5	0	60	426.973	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC12152668
• 12247095
  

  Analogs

  16567719

  

  16567720

  

  16569084

  

  16569085

  

  Popular Name: 1-(4-chlorophenyl)-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]cyclopropane-1- 1-(4-chlorophenyl)-N-[[4-(4-fluo…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 20564003

  • Molport

    • MolPort-005-075-433

  • ChemBridge

    • 41620172

  • Collaborative Drug Discovery

    • 610217

  • PubChem

    • 42484434

  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)	3.52	0.66	-9.96	1	5	0	60	416.909	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC12247095
• 11791281
  

  Analogs

  16569084

  

  16569085

  

  Popular Name: 1-(4-chlorophenyl)-N-[[5-methylsulfanyl-4-(o-tolyl)-1,2,4-triazol-3-yl]methyl]cyclobutane-1-carboxam 1-(4-chlorophenyl)-N-[[5-methyls…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 20443303

  • Molport

    • MolPort-005-020-735

  • ChemBridge

    • 17940727

  • Collaborative Drug Discovery

    • 589952

  • PubChem

    • 42172062

  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)	4.26	12.87	-9.93	1	5	0	60	426.973	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC11791281
• 11910706
  

  Analogs

  16567735

  

  16567739

  

  16567744

  

  16567762

  

  16568186

  

  Popular Name: N-[[5-[(2-chlorophenyl)methylsulfanyl]-4-(o-tolyl)-1,2,4-triazol-3-yl]methyl]acetamide N-[[5-[(2-chlorophenyl)methylsul…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 20510015

  • Molport

    • MolPort-005-050-671

  • ChemBridge

    • 29841251

  • Collaborative Drug Discovery

    • 601725

  • PubChem

    • 42274935

  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)	3.51	0.25	-12.99	1	5	0	60	386.908	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC11910706