User Information

• Synonyms (0)
• Vendors (1)
• Annotations (2)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (4)

ZINC32142912

• 32142912

Physical Representations

Activity (Go SEA)

• 32190180
  

  Analogs

  35096089

  

  35096091

  

  40696829

  

  40696830

  

  52783779

  

  Popular Name: (2R)-2-[(4-nitrobenzoyl)amino]butanedioic (2R)-2-[(4-nitrobenzoyl)amino]bu…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Otava (Virtual)

    • 5414236

  • PubChem

    • 591330

  • SureChEMBL

    • SCHEMBL8381293

  • Enamine BB Make on Demand

    • BBV-44811288
    • BBV-44218006

  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)	-1.62	6.21	-106.81	1	9	-2	155	280.192	6	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	-1.62	4.29	-50.13	2	9	-1	152	281.2	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32190180
• 32190181
  

  Analogs

  35096089

  

  35096091

  

  40696829

  

  40696830

  

  52783779

  

  Popular Name: (2S)-2-[(4-nitrobenzoyl)amino]butanedioic (2S)-2-[(4-nitrobenzoyl)amino]bu…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Otava (Virtual)

    • 5414236

  • PubChem

    • 591330
    • 10869728

  • SureChEMBL

    • SCHEMBL8379935

  • Enamine BB Make on Demand

    • BBV-44226252

  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)	-1.62	6.25	-106.39	1	9	-2	155	280.192	6	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	-1.62	4.22	-50.47	2	9	-1	152	281.2	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32190181
• 97165
  

  Analogs

  3188211

  

  4800918

  

  4800919

  

  25494937

  

  25494941

  

  Popular Name: N-Benzoylaspartic acid N-Benzoylaspartic acid

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 1011257

  • Molport

    • MolPort-002-917-177

  • American Custom Chemicals Corp.

    • AAA0007281

  • Florida Heterocyclic Compounds

    • 28248

  • Innovapharm

    • STT-00282933

  And 25 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)	-1.58	-0.67	-118.16	1	6	-2	109	235.195	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00097165
• 97168
  

  Analogs

  3188211

  

  4800918

  

  4800919

  

  25494937

  

  25494941

  

  Popular Name: N-Benzoylaspartic acid N-Benzoylaspartic acid

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 1011257

  • Molport

    • MolPort-002-917-177

  • Aldrich CPR

    • S789208|ALDRICH

  • American Custom Chemicals Corp.

    • AAA0007623

  • Innovapharm

    • STT-00282933

  And 25 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)	-1.58	-0.67	-118.16	1	6	-2	109	235.195	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00097168