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

ZINC46407967

• 46407967

Physical Representations

Activity (Go SEA)

• 41663286
  

  Analogs

  46406388

  

  46407967

  

  46408277

  

  47663376

  

  Popular Name: (2S)-2-amino-N-[(3,5-dimethylisoxazol-4-yl)methyl]-N-methyl-4-methylsulfanyl-butanamide (2S)-2-amino-N-[(3,5-dimethyliso…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61164555

  • Enamine BB Make on Demand

    • BBV-32718031

  • UORSY BB Make-on-demand

    • BBV-32718031

  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)	-0.42	3.77	-53.65	3	5	1	74	272.394	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	-0.42	3.46	-11.79	2	5	0	72	271.386	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC41663286
• 41663292
  

  Analogs

  46406388

  

  46407967

  

  46408277

  

  47663376

  

  Popular Name: (2S)-2-amino-N-[(3,5-dimethylisoxazol-4-yl)methyl]-N,3,3-trimethyl-butanamide (2S)-2-amino-N-[(3,5-dimethyliso…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61164935

  • Enamine BB Make on Demand

    • BBV-32718036

  • UORSY BB Make-on-demand

    • BBV-32718036

  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)	0.48	3.69	-49.77	3	5	1	74	254.354	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.48	3.35	-10.65	2	5	0	72	253.346	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC41663292