User Information

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

ZINC32078614

• 32078614

Physical Representations

Activity (Go SEA)

• 34969122
  

  Analogs

  34969123

  

  12732965

  

  Popular Name: (2S)-N-(2-benzylphenyl)-2-(2,2-dimethylpropanoylamino)-3-methyl-butanamide (2S)-N-(2-benzylphenyl)-2-(2,2-d…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 42703760

  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)	5.28	10.79	-7.69	2	4	0	58	366.505	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34969122
• 34969123
  

  Analogs

  12732965

  

  Popular Name: (2R)-N-(2-benzylphenyl)-2-(2,2-dimethylpropanoylamino)-3-methyl-butanamide (2R)-N-(2-benzylphenyl)-2-(2,2-d…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 42703760

  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)	5.28	11.06	-8.15	2	4	0	58	366.505	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34969123
• 34969129
  

  Analogs

  34969130

  

  12732965

  

  Popular Name: (2S)-N-(2-benzylphenyl)-2-[(3-chloro-2,2-dimethyl-propanoyl)amino]-3-methyl-butanamide (2S)-N-(2-benzylphenyl)-2-[(3-ch…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 42703764

  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)	5.34	11.27	-6.95	2	4	0	58	400.95	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34969129
• 37018856
  

  Analogs

  32078616

  

  32078614

  

  11958968

  

  Popular Name: (2R)-2-amino-3-methyl-N-(2-propylphenyl)butanamide (2R)-2-amino-3-methyl-N-(2-propy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43703933

  • Enamine BB Make on Demand

    • BBV-27177519
    • BBV-40621498

  • UORSY BB Make-on-demand

    • BBV-40621498
    • BBV-27177519

  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)	2.36	5.37	-43.94	4	3	1	57	235.351	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37018856
• 37018881
  

  Analogs

  4202641

  

  Popular Name: (2R,3S)-2-amino-3-methyl-N-(2-propylphenyl)pentanamide (2R,3S)-2-amino-3-methyl-N-(2-pr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43703949

  • UORSY BB Make-on-demand

    • BBV-27177535

  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)	2.86	6.02	-45.11	4	3	1	57	249.378	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37018881
• 37018882
  

  Analogs

  4202641

  

  Popular Name: (2S,3S)-2-amino-3-methyl-N-(2-propylphenyl)pentanamide (2S,3S)-2-amino-3-methyl-N-(2-pr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61178354
    • 61172301
    • 43703949

  • Enamine BB Make on Demand

    • BBV-32514110

  • UORSY BB Make-on-demand

    • BBV-27177535

  And 2 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)	2.86	6.37	-44.79	4	3	1	57	249.378	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37018882
• 37018883
  

  Analogs

  4202641

  

  Popular Name: (2R,3R)-2-amino-3-methyl-N-(2-propylphenyl)pentanamide (2R,3R)-2-amino-3-methyl-N-(2-pr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43703949

  • UORSY BB Make-on-demand

    • BBV-27177535

  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)	2.86	6.33	-45.36	4	3	1	57	249.378	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37018883
• 37018884
  

  Analogs

  4202641

  

  Popular Name: (2S,3R)-2-amino-3-methyl-N-(2-propylphenyl)pentanamide (2S,3R)-2-amino-3-methyl-N-(2-pr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61172301
    • 43703949

  • Enamine BB Make on Demand

    • BBV-32514110

  • UORSY BB Make-on-demand

    • BBV-27177535
    • BBV-32514110

  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)	2.86	6	-44.91	4	3	1	57	249.378	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37018884