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• Synonyms (0)
• Vendors (1)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (8)

ZINC22514484

• 22514484

Physical Representations

Activity (Go SEA)

• 37000438
  

  Analogs

  18042096

  

  Popular Name: 3-[[(2R)-2-chloro-2-phenyl-acetyl]amino]-2-methyl-benzoic 3-[[(2R)-2-chloro-2-phenyl-acety…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43695889

  • Enamine BB Make on Demand

    • BBV-27169346

  • UORSY BB Make-on-demand

    • BBV-27169346

  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)	3.23	8.97	-50.87	1	4	-1	69	302.737	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37000438
• 37000439
  

  Analogs

  18042096

  

  Popular Name: 3-[[(2S)-2-chloro-2-phenyl-acetyl]amino]-2-methyl-benzoic 3-[[(2S)-2-chloro-2-phenyl-acety…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43695889

  • Enamine BB Make on Demand

    • BBV-27169346

  • UORSY BB Make-on-demand

    • BBV-27169346

  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)	3.23	8.98	-51.09	1	4	-1	69	302.737	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37000439
• 37002011
  

  Analogs

  18042096

  

  Popular Name: 3-[[(2R)-2-amino-2-phenyl-acetyl]amino]-2-methyl-benzoic 3-[[(2R)-2-amino-2-phenyl-acetyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43696576

  • UORSY BB Make-on-demand

    • BBV-36768332

  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)	0.16	5.93	-82.84	4	5	0	97	284.315	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.16	5.6	-51.11	3	5	-1	95	283.307	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37002011
• 37002012
  

  Analogs

  18042096

  

  Popular Name: 3-[[(2S)-2-amino-2-phenyl-acetyl]amino]-2-methyl-benzoic 3-[[(2S)-2-amino-2-phenyl-acetyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43696576

  • UORSY BB Make-on-demand

    • BBV-36768332

  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)	0.16	5.93	-81.5	4	5	0	97	284.315	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.16	5.6	-50.3	3	5	-1	95	283.307	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37002012
• 37047311
  

  Analogs

  6746420

  

  Popular Name: methyl methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43714360

  • Enamine BB Make on Demand

    • BBV-27188073

  • UORSY BB Make-on-demand

    • BBV-27188073

  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)	4.58	9.76	-6.09	1	3	0	38	283.371	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37047311
• 37047371
  

  Analogs

  26894131

  

  Popular Name: methyl methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43714407

  • Enamine BB Make on Demand

    • BBV-27188120

  • UORSY BB Make-on-demand

    • BBV-27188120

  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)	3.78	9.2	-6.31	1	3	0	38	269.344	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37047371
• 44625021
  

  Analogs

  6235846

  

  Popular Name: methyl methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • AsisChem

    • J14857

  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)	3.27	8.62	-11.54	1	4	0	55	301.317	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC44625021
• 44625248
  

  Analogs

  461029

  

  Popular Name: methyl methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60416035

  • AKOS (make-on-demand)

    • AKOS008576281

  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)	3.06	9.26	-15.81	1	7	0	101	328.324	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC44625248