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• Synonyms (0)
• Vendors (0)
• Annotations (1)
• Representations (2)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (1)
• Analogs (8)

ZINC42117101

• 42117101

Physical Representations

Activity (Go SEA)

• 42117103
  

  Analogs

  42117101

  

  37823737

  

  Popular Name: (2R)-2-acetamido-N-[(2-hydroxyphenyl)methyl]-N,3-dimethyl-butanamide (2R)-2-acetamido-N-[(2-hydroxyph…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 47230436

  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)	1.26	3.42	-9.28	2	5	0	70	278.352	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.26	4.19	-40.98	1	5	-1	72	277.344	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42117103
• 37823737
  

  Analogs

  42117101

  

  42117103

  

  19504147

  

  Popular Name: (2S)-2-amino-N-[(2-hydroxyphenyl)methyl]-N,3-dimethyl-butanamide (2S)-2-amino-N-[(2-hydroxyphenyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 54873564
    • 61163814

  • Enamine BB Make on Demand

    • BBV-32505876
    • BBV-32163691

  • UORSY BB Make-on-demand

    • BBV-32163691

  And 1 More

  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)	0.99	2.43	-40.52	4	4	1	68	237.323	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.99	2.01	-8.56	3	4	0	67	236.315	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37823737
• 37823738
  

  Analogs

  42117101

  

  42117103

  

  19504147

  

  Popular Name: (2R)-2-amino-N-[(2-hydroxyphenyl)methyl]-N,3-dimethyl-butanamide (2R)-2-amino-N-[(2-hydroxyphenyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 54873564

  • Enamine BB Make on Demand

    • BBV-32163691
    • BBV-40622111

  • UORSY BB Make-on-demand

    • BBV-40622111
    • BBV-32163691

  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)	0.99	2.32	-40.96	4	4	1	68	237.323	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.99	1.97	-7.35	3	4	0	67	236.315	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37823738
• 37823798
  

  Analogs

  42117101

  

  42117103

  

  48606757

  

  48606758

  

  19437977

  

  Popular Name: (2S)-2-amino-2-cyclopropyl-N-[(2-hydroxyphenyl)methyl]-N-methyl-propanamide (2S)-2-amino-2-cyclopropyl-N-[(2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 54873455

  • Enamine BB Make on Demand

    • BBV-32163728

  • UORSY BB Make-on-demand

    • BBV-32163728

  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)	1.72	3.12	-45.99	4	4	1	68	249.334	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37823798
• 37826497
  

  Analogs

  42117101

  

  42117103

  

  37005113

  

  Popular Name: (2S)-2-amino-N-[(1S)-1-(2-hydroxyphenyl)ethyl]-N,3-dimethyl-butanamide (2S)-2-amino-N-[(1S)-1-(2-hydrox…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 54874448
    • 61164424

  • Enamine BB Make on Demand

    • BBV-32506143
    • BBV-32165222

  • UORSY BB Make-on-demand

    • BBV-32165222

  And 1 More

  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)	1.55	2.51	-40.5	4	4	1	68	251.35	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.55	2.39	-7.52	3	4	0	67	250.342	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37826497
• 37826498
  

  Analogs

  42117101

  

  42117103

  

  37005113

  

  Popular Name: (2R)-2-amino-N-[(1S)-1-(2-hydroxyphenyl)ethyl]-N,3-dimethyl-butanamide (2R)-2-amino-N-[(1S)-1-(2-hydrox…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 54874448

  • Enamine BB Make on Demand

    • BBV-32165222
    • BBV-40622132

  • UORSY BB Make-on-demand

    • BBV-40622132
    • BBV-32165222

  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)	1.55	2.42	-40.07	4	4	1	68	251.35	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.55	2.22	-8.97	3	4	0	67	250.342	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37826498
• 37826499
  

  Analogs

  42117101

  

  42117103

  

  37005113

  

  Popular Name: (2S)-2-amino-N-[(1R)-1-(2-hydroxyphenyl)ethyl]-N,3-dimethyl-butanamide (2S)-2-amino-N-[(1R)-1-(2-hydrox…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 54874448
    • 61164424

  • Enamine BB Make on Demand

    • BBV-32506143
    • BBV-32165222

  • UORSY BB Make-on-demand

    • BBV-32165222

  And 1 More

  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)	1.55	2.52	-43.35	4	4	1	68	251.35	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.55	2.39	-8.53	3	4	0	67	250.342	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37826499
• 37826500
  

  Analogs

  42117101

  

  42117103

  

  37005113

  

  Popular Name: (2R)-2-amino-N-[(1R)-1-(2-hydroxyphenyl)ethyl]-N,3-dimethyl-butanamide (2R)-2-amino-N-[(1R)-1-(2-hydrox…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 54874448

  • Enamine BB Make on Demand

    • BBV-32165222
    • BBV-40622132

  • UORSY BB Make-on-demand

    • BBV-40622132
    • BBV-32165222

  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)	1.55	2.82	-43.85	4	4	1	68	251.35	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.55	2.32	-9.5	3	4	0	67	250.342	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37826500