User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (2)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (1)
• Analogs (7)

ZINC37814774

• 37814774

Physical Representations

Activity (Go SEA)

• 36871789
  

  Analogs

  37806736

  

  37806737

  

  37814731

  

  37814732

  

  37814733

  

  Popular Name: (2S)-2-amino-N-[(1S)-1-cyclopropylethyl]-N-methyl-butanamide (2S)-2-amino-N-[(1S)-1-cycloprop…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43649640

  • Enamine BB Make on Demand

    • BBV-40286908
    • BBV-40304037

  • UORSY BB Make-on-demand

    • BBV-40304037

  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)	0.61	3.26	-40.5	3	3	1	48	185.291	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.61	2.93	-7.46	2	3	0	46	184.283	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36871789
• 36871790
  

  Analogs

  37806736

  

  37806737

  

  37814731

  

  37814732

  

  37814733

  

  Popular Name: (2R)-2-amino-N-[(1S)-1-cyclopropylethyl]-N-methyl-butanamide (2R)-2-amino-N-[(1S)-1-cycloprop…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 65811935
    • 43649640

  • Enamine BB Make on Demand

    • BBV-40286908
    • BBV-40304036

  • UORSY BB Make-on-demand

    • BBV-40304036

  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)	0.61	3.25	-40.13	3	3	1	48	185.291	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.61	2.94	-5.94	2	3	0	46	184.283	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36871790
• 36871791
  

  Analogs

  37806736

  

  37806737

  

  37814731

  

  37814732

  

  37814733

  

  Popular Name: (2S)-2-amino-N-[(1R)-1-cyclopropylethyl]-N-methyl-butanamide (2S)-2-amino-N-[(1R)-1-cycloprop…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43649640

  • Enamine BB Make on Demand

    • BBV-40286908
    • BBV-40304037

  • UORSY BB Make-on-demand

    • BBV-40304037

  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)	0.61	3.33	-40.48	3	3	1	48	185.291	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.61	3	-7.62	2	3	0	46	184.283	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36871791
• 36871792
  

  Analogs

  37806736

  

  37806737

  

  37814731

  

  37814732

  

  37814733

  

  Popular Name: (2R)-2-amino-N-[(1R)-1-cyclopropylethyl]-N-methyl-butanamide (2R)-2-amino-N-[(1R)-1-cycloprop…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 65811935
    • 43649640

  • Enamine BB Make on Demand

    • BBV-40286908
    • BBV-40304036

  • UORSY BB Make-on-demand

    • BBV-40304036

  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)	0.61	3.31	-40.36	3	3	1	48	185.291	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.61	3.01	-6.07	2	3	0	46	184.283	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36871792
• 36785796
  

  Analogs

  37814731

  

  37814732

  

  37814733

  

  37814734

  

  37814773

  

  Popular Name: (2S)-2-amino-N-[(1S)-1-cyclopropylethyl]-N-methyl-propanamide (2S)-2-amino-N-[(1S)-1-cycloprop…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61145840
    • 43569313

  • Enamine BB Make on Demand

    • BBV-32493378
    • BBV-25196885

  • UORSY BB Make-on-demand

    • BBV-25196885

  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)	0.07	2.51	-41.82	3	3	1	48	171.264	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.07	2.13	-7.45	2	3	0	46	170.256	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36785796
• 36785798
  

  Analogs

  37814773

  

  37814774

  

  37814775

  

  Popular Name: (2S)-2-amino-N-[(1R)-1-cyclopropylethyl]-N-methyl-propanamide (2S)-2-amino-N-[(1R)-1-cycloprop…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61145840
    • 43569313

  • Enamine BB Make on Demand

    • BBV-32493378
    • BBV-25196885

  • UORSY BB Make-on-demand

    • BBV-25196885

  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)	0.07	2.5	-41.68	3	3	1	48	171.264	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.07	1.91	-7.48	2	3	0	46	170.256	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36785798
• 36785793
  

  Analogs

  37814731

  

  37814732

  

  37814733

  

  37814734

  

  37814773

  

  Popular Name: (2R)-2-amino-N-[(1S)-1-cyclopropylethyl]-N-methyl-propanamide (2R)-2-amino-N-[(1S)-1-cycloprop…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43569313

  • Enamine BB Make on Demand

    • BBV-33208613
    • BBV-25196885

  • UORSY BB Make-on-demand

    • BBV-25196885
    • BBV-33208613

  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)	0.07	2.45	-41.86	3	3	1	48	171.264	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.07	2.04	-8.04	2	3	0	46	170.256	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36785793