User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (6)

ZINC42171191

• 42171191

Physical Representations

Activity (Go SEA)

• 49474990
  

  Analogs

  42170558

  

  42170588

  

  Popular Name: 2-{[3-(2-methylpiperidin-1-yl)propanoyl]amino}butanoic acid 2-{[3-(2-methylpiperidin-1-yl)pr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Zylexa Pharma BB

    • ZP-BB-CD019749

  • PubChem

    • 53215812

  • ChemDiv BB Make-on-demand

    • BB52-9969

  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)	-0.39	6.85	-62.1	2	5	0	74	256.346	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49474990
• 49474992
  

  Analogs

  42170558

  

  42170588

  

  Popular Name: 2-{[3-(2-methylpiperidin-1-yl)propanoyl]amino}butanoic acid 2-{[3-(2-methylpiperidin-1-yl)pr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Zylexa Pharma BB

    • ZP-BB-CD019749

  • PubChem

    • 53215812

  • ChemDiv BB Make-on-demand

    • BB52-9969

  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)	-0.39	6.78	-62.45	2	5	0	74	256.346	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49474992
• 49475002
  

  Analogs

  42170558

  

  42170588

  

  Popular Name: 2-[(3-azepan-1-ylpropanoyl)amino]butanoic acid 2-[(3-azepan-1-ylpropanoyl)amino…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Zylexa Pharma BB

    • ZP-BB-CD019764

  • PubChem

    • 53215816

  • ChemDiv BB Make-on-demand

    • BB52-9984

  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)	-0.21	6.88	-64.03	2	5	0	74	256.346	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49475002
• 49475004
  

  Analogs

  42170558

  

  42170588

  

  Popular Name: 2-[(3-azepan-1-ylpropanoyl)amino]butanoic acid 2-[(3-azepan-1-ylpropanoyl)amino…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Zylexa Pharma BB

    • ZP-BB-CD019764

  • PubChem

    • 53215816

  • ChemDiv BB Make-on-demand

    • BB52-9984

  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)	-0.21	6.95	-63.96	2	5	0	74	256.346	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49475004
• 22017895
  

  Analogs

  42171191

  

  42171192

  

  42171194

  

  1532392

  

  Popular Name: (2S)-2-(hexanoylamino)butanedioic (2S)-2-(hexanoylamino)butanedioic

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 29950749
    • 14626378

  • SureChEMBL

    • SCHEMBL7218627
    • SCHEMBL531487

  • Enamine BB Make on Demand

    • BBV-44812728

  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)	-0.84	3.71	-112.72	1	6	-2	109	229.232	8	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	-0.84	2.58	-57.72	2	6	-1	107	230.24	8	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	-0.84	2.59	-50.69	2	6	-1	107	230.24	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC22017895
• 22017899
  

  Analogs

  42171191

  

  42171192

  

  42171194

  

  1532392

  

  Popular Name: (2R)-2-(hexanoylamino)butanedioic (2R)-2-(hexanoylamino)butanedioic

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 29950752
    • 14626378

  • SureChEMBL

    • SCHEMBL7218627

  • Enamine BB Make on Demand

    • BBV-44811501

  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)	-0.84	3.71	-112.7	1	6	-2	109	229.232	8	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	-0.84	2.58	-57.72	2	6	-1	107	230.24	8	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	-0.84	2.59	-50.72	2	6	-1	107	230.24	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC22017899