User Information

• Synonyms (0)
• Vendors (7)
• Annotations (2)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (3)

ZINC00530967

• 530967

Physical Representations

Activity (Go SEA)

• 4313854
  

  Analogs

  4314240

  

  4314252

  

  2522467

  

  Popular Name: 3-(2,4-dichlorophenyl)-5-[1-(4-fluorophenyl)ethylsulfanyl]-1,2,4-triazol-4-amine 3-(2,4-dichlorophenyl)-5-[1-(4-f…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 7183702
    • 45609921

  • AKOS (make-on-demand)

    • AKOS008302635

  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	-1.13	-9.07	2	4	0	56	383.279	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04313854
• 4313855
  

  Analogs

  4314240

  

  4314252

  

  2522467

  

  Popular Name: 3-(2,4-dichlorophenyl)-5-[1-(4-fluorophenyl)ethylsulfanyl]-1,2,4-triazol-4-amine 3-(2,4-dichlorophenyl)-5-[1-(4-f…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 7183703
    • 45609921

  • AKOS (make-on-demand)

    • AKOS008302635

  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	-1.27	-9.48	2	4	0	56	383.279	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04313855
• 34972180
  

  Analogs

  42136514

  

  2768834

  

  Popular Name: 4-amino-5-(2-chloro-4-fluoro-phenyl)-1,2,4-triazole-3-thiol 4-amino-5-(2-chloro-4-fluoro-phe…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm BB Make on Demand

    • BBV-00046358

  • PubChem

    • 43149284

  • Enamine BB Make on Demand

    • BBV-260749

  • UORSY BB Make-on-demand

    • BBV-260749

  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)	2.44	5.54	-39.24	2	4	-1	57	243.674	1	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.72	5.87	-9.39	3	4	0	60	244.682	1	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34972180