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

ZINC42768377

• 42768377

Physical Representations

Activity (Go SEA)

• 19488922
  

  Analogs

  42768377

  

  42768661

  

  Popular Name: 2-(aminomethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide 2-(aminomethyl)-N-(2,2,2-trifluo…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 24703663
    • 28202268

  • Enamine BB Make on Demand

    • BBV-079110

  • UORSY BB Make-on-demand

    • BBV-079110

  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)	1.07	0.53	-47.49	4	4	1	74	269.268	5	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.07	0.15	-9.22	3	4	0	72	268.26	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19488922
• 22170078
  

  Analogs

  42768377

  

  Popular Name: 2-(aminomethyl)-N,N-diethyl-benzenesulfonamide 2-(aminomethyl)-N,N-diethyl-benz…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 30074739
    • 16783834

  • Enamine BB Make on Demand

    • BBV-022685

  • UORSY BB Make-on-demand

    • BBV-022685

  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)	1.14	2.86	-39.08	3	4	1	65	243.352	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.14	2.47	-10.68	2	4	0	63	242.344	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC22170078
• 37078818
  

  Analogs

  42768377

  

  8939805

  

  Popular Name: 2-(aminomethyl)-N-ethyl-N-methyl-benzenesulfonamide 2-(aminomethyl)-N-ethyl-N-methyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43263413

  • Enamine BB Make on Demand

    • BBV-14866883

  • UORSY BB Make-on-demand

    • BBV-14866883

  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	1.88	-39.17	3	4	1	65	229.325	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.76	1.62	-10.62	2	4	0	63	228.317	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37078818