User Information

• Synonyms (4)
• Vendors (9)
• Annotations (3)
• Representations (1)
• Notes (3)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (14)

ZINC05284123

• 5284123

Physical Representations

Vendor Notes

Activity (Go SEA)

• 5284158
• 32006076
• 32006079
• 32006242
• 32006852
• 32006854
• 32006856
• 32006858
• 32007045
• 32007046
• 32007048
  

  Analogs

  5284123

  

  Popular Name: (2R)-3-methyl-1-(m-tolyl)butan-2-amine (2R)-3-methyl-1-(m-tolyl)butan-2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60820349
    • 39236817

  • SureChEMBL

    • SCHEMBL4693239

  • Enamine BB Make on Demand

    • BBV-37203692

  • UORSY BB Make-on-demand

    • BBV-37203692

  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)	2.53	5.92	-41.58	3	1	1	28	178.299	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32007048
• 32007049
  

  Analogs

  37992586

  

  37992587

  

  5284123

  

  Popular Name: (2S)-3-methyl-1-(p-tolyl)butan-2-amine (2S)-3-methyl-1-(p-tolyl)butan-2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60820183
    • 39236819

  • SureChEMBL

    • SCHEMBL4693931

  • Enamine BB Make on Demand

    • BBV-45520405

  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)	2.55	6.08	-40.19	3	1	1	28	178.299	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32007049
• 32007051
  

  Analogs

  37992586

  

  37992587

  

  5284123

  

  Popular Name: (2R)-3-methyl-1-(p-tolyl)butan-2-amine (2R)-3-methyl-1-(p-tolyl)butan-2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60820183
    • 39236822

  • SureChEMBL

    • SCHEMBL4693931

  • Enamine BB Make on Demand

    • BBV-45520405

  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)	2.55	6.07	-40.2	3	1	1	28	178.299	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32007051
• 34450300
  

  Analogs

  44138930

  

  3378505

  

  Popular Name: (1R,2R)-3,3-dimethyl-1-phenyl-butane-1,2-diamine (1R,2R)-3,3-dimethyl-1-phenyl-bu…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • American Custom Chemicals Corp.

    • CCH0005480
    • CCH0002300

  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)	-0.01	2.85	-135.64	6	2	2	55	194.322	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	-0.01	3.75	-37.59	5	2	1	54	193.314	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34450300