User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (9)

ZINC44823622

• 44823622

Physical Representations

Activity (Go SEA)

• 37368914
  

  Analogs

  44823617

  

  44823618

  

  44823621

  

  44823622

  

  44840267

  

  Popular Name: N-(5-bromo-2-methyl-phenyl)cyclopropanecarboxamide N-(5-bromo-2-methyl-phenyl)cyclo…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Otava (Virtual)

    • 4616390

  • PubChem

    • 43806346

  • Enamine BB Make on Demand

    • BBV-39140355

  • UORSY BB Make-on-demand

    • BBV-39140355

  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)	3.17	6.49	-9.06	1	2	0	29	254.127	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37368914
• 37368923
  

  Analogs

  44823621

  

  44823622

  

  44840287

  

  44840291

  

  37013347

  

  Popular Name: N-(5-bromo-2-methyl-phenyl)-3-methyl-butanamide N-(5-bromo-2-methyl-phenyl)-3-me…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43806350

  • Enamine BB Make on Demand

    • BBV-27282471

  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)	3.96	7.08	-8.73	1	2	0	29	270.17	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37368923
• 37368971
  

  Analogs

  44823617

  

  44823618

  

  44823621

  

  44823622

  

  44840267

  

  Popular Name: (2R)-N-(5-bromo-2-methyl-phenyl)-2-methyl-butanamide (2R)-N-(5-bromo-2-methyl-phenyl)…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 51887944
    • 43806381

  • Enamine BB Make on Demand

    • BBV-27282502

  • UORSY BB Make-on-demand

    • BBV-27282502

  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)	3.93	6.98	-8.81	1	2	0	29	270.17	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37368971
• 37368972
  

  Analogs

  43448382

  

  44823617

  

  44823618

  

  44823621

  

  44823622

  

  Popular Name: (2S)-N-(5-bromo-2-methyl-phenyl)-2-methyl-butanamide (2S)-N-(5-bromo-2-methyl-phenyl)…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 51887945
    • 43806381

  • Enamine BB Make on Demand

    • BBV-27282502

  • UORSY BB Make-on-demand

    • BBV-27282502

  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)	3.93	6.97	-8.82	1	2	0	29	270.17	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37368972
• 37369060
  

  Analogs

  43448382

  

  44823621

  

  44823622

  

  44840287

  

  44840291

  

  Popular Name: N-(5-bromo-2-methyl-phenyl)-3,3-dimethyl-butanamide N-(5-bromo-2-methyl-phenyl)-3,3-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43806457

  • SureChEMBL

    • SCHEMBL4940608

  • Enamine BB Make on Demand

    • BBV-27282578

  • UORSY BB Make-on-demand

    • BBV-27282578

  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)	4.28	7.6	-7.83	1	2	0	29	284.197	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37369060
• 37368990
  

  Analogs

  44823617

  

  44823618

  

  44823621

  

  44823622

  

  44840267

  

  Popular Name: N-(5-bromo-2-methyl-phenyl)-2-ethyl-butanamide N-(5-bromo-2-methyl-phenyl)-2-et…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43806397

  • Enamine BB Make on Demand

    • BBV-27282518

  • UORSY BB Make-on-demand

    • BBV-27282518

  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)	4.43	7.73	-8.09	1	2	0	29	284.197	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37368990
• 37368952
  

  Analogs

  44823621

  

  44823622

  

  44840251

  

  44840276

  

  44840282

  

  Popular Name: (1R,2S)-N-(5-bromo-2-methyl-phenyl)-2-methyl-cyclopropanecarboxamide (1R,2S)-N-(5-bromo-2-methyl-phen…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43806366

  • Enamine BB Make on Demand

    • BBV-27282487

  • UORSY BB Make-on-demand

    • BBV-27282487

  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	7.21	-8.23	1	2	0	29	268.154	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37368952
• 37368953
  

  Analogs

  44823621

  

  44823622

  

  44840251

  

  44840276

  

  44840282

  

  Popular Name: (1S,2S)-N-(5-bromo-2-methyl-phenyl)-2-methyl-cyclopropanecarboxamide (1S,2S)-N-(5-bromo-2-methyl-phen…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43806366

  • Enamine BB Make on Demand

    • BBV-27282487

  • UORSY BB Make-on-demand

    • BBV-27282487

  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	7.16	-8.89	1	2	0	29	268.154	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37368953
• 37368955
  

  Analogs

  44823621

  

  44823622

  

  44840251

  

  44840276

  

  44840282

  

  Popular Name: (1S,2R)-N-(5-bromo-2-methyl-phenyl)-2-methyl-cyclopropanecarboxamide (1S,2R)-N-(5-bromo-2-methyl-phen…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43806366

  • Enamine BB Make on Demand

    • BBV-27282487

  • UORSY BB Make-on-demand

    • BBV-27282487

  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	7.21	-8.25	1	2	0	29	268.154	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37368955