User Information

• Synonyms (0)
• Vendors (11)
• Annotations (2)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (5)

ZINC00074708

• 74708

Physical Representations

Activity (Go SEA)

• 16737123
  

  Analogs

  32951775

  

  32951842

  

  74705

  

  Popular Name: N-(1-adamantylmethyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide N-(1-adamantylmethyl)-N-methyl-2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 27305682

  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)	5.04	9.91	-15.75	0	3	0	37	387.467	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC16737123
• 33700567
  

  Analogs

  74708

  

  Popular Name: (2R)-2-methyl-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine (2R)-2-methyl-1-[2-(trifluoromet…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00003413

  • UORSY Make-on-demand

    • PB45626162

  • ChemDB

    • 7007643

  • PubChem

    • 5089075

  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)	3.34	6.16	-9.45	0	3	0	37	307.337	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC33700567
• 33700569
  

  Analogs

  74708

  

  Popular Name: (2S)-2-methyl-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine (2S)-2-methyl-1-[2-(trifluoromet…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00003413

  • UORSY Make-on-demand

    • PB45626162

  • ChemDB

    • 7007643

  • PubChem

    • 5089075

  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)	3.34	6.15	-9.5	0	3	0	37	307.337	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC33700569
• 34957275
  

  Analogs

  42452234

  

  42457065

  

  42457067

  

  74705

  

  Popular Name: 3-[methyl-[2-(trifluoromethyl)phenyl]sulfonyl-amino]propanethioamide 3-[methyl-[2-(trifluoromethyl)ph…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm BB Make on Demand

    • BBV-00044377

  • PubChem

    • 43123372

  • UORSY BB Make-on-demand

    • BBV-235425

  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)	1.28	4.03	-17.51	2	4	0	63	326.365	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34957275
• 36796814
  

  Analogs

  16652470

  

  Popular Name: [(2R)-1-[2-(trifluoromethyl)phenyl]sulfonyl-2-piperidyl]methanol [(2R)-1-[2-(trifluoromethyl)phen…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43574427

  • SureChEMBL

    • SCHEMBL3441949
    • SCHEMBL4436227

  • Enamine BB Make on Demand

    • BBV-25202027

  • UORSY BB Make-on-demand

    • BBV-25202027

  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)	2.36	4.38	-11.65	1	4	0	58	323.336	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36796814