User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (1)
• Analogs (4)

ZINC42454382

• 42454382

Physical Representations

Activity (Go SEA)

• 21518140
  

  Analogs

  42449407

  

  42449409

  

  42454339

  

  42454382

  

  42460809

  

  Popular Name: N-(2-cyanoethyl)-2,4-difluoro-N-methyl-5-nitro-benzenesulfonamide N-(2-cyanoethyl)-2,4-difluoro-N-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 29562144

  • UORSY BB Make-on-demand

    • BBR-049904

  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)	0.85	4.6	-14.65	0	7	0	107	305.262	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21518140
• 36131077
  

  Analogs

  42454382

  

  Popular Name: 5-amino-N-(2-cyanoethyl)-2,4-difluoro-N-isopropyl-benzenesulfonamide 5-amino-N-(2-cyanoethyl)-2,4-dif…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43577678

  • Enamine BB Make on Demand

    • BBV-25205347

  • UORSY BB Make-on-demand

    • BBV-25205347

  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)	1.05	2.89	-11.38	2	5	0	87	303.334	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36131077
• 21804069
  

  Analogs

  42278701

  

  42278704

  

  42454382

  

  42460939

  

  42460941

  

  Popular Name: 5-amino-N-(2-cyanoethyl)-2,4-difluoro-N-methyl-benzenesulfonamide 5-amino-N-(2-cyanoethyl)-2,4-dif…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 29780944

  • Enamine BB Make on Demand

    • BBR-055866

  • UORSY BB Make-on-demand

    • BBR-055866

  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)	0.38	1.76	-13.47	2	5	0	87	275.28	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21804069
• 37052543
  

  Analogs

  42449407

  

  42449409

  

  42454339

  

  42454382

  

  42460809

  

  Popular Name: N-(2-cyanoethyl)-2-fluoro-N-methyl-5-nitro-benzenesulfonamide N-(2-cyanoethyl)-2-fluoro-N-meth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43255335

  • Enamine BB Make on Demand

    • BBV-14858581

  • UORSY BB Make-on-demand

    • BBV-14858581

  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)	0.76	4.54	-15.44	0	7	0	107	287.272	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37052543