User Information

• Synonyms (7)
• Vendors (10)
• Annotations (1)
• Representations (1)
• Notes (1)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (5)

ZINC15443061

• 15443061

Physical Representations

Vendor Notes

Activity (Go SEA)

• 42161945
  

  Analogs

  15443060

  

  Popular Name: 2-[(2R)-1-(5-nitro-2-pyridyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(5-nitro-2-pyridyl)pyr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61372272

  • Enamine BB Make on Demand

    • BBV-32788508

  • UORSY BB Make-on-demand

    • BBV-32788508

  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)	1.18	7.28	-40.76	0	7	-1	102	250.234	4	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	1.18	5.31	-8.64	1	7	0	99	251.242	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42161945
• 42161947
  

  Analogs

  15443060

  

  Popular Name: 2-[(2S)-1-(5-nitro-2-pyridyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(5-nitro-2-pyridyl)pyr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61372272

  • Enamine BB Make on Demand

    • BBV-32788508

  • UORSY BB Make-on-demand

    • BBV-32788508

  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)	1.18	7.28	-40.7	0	7	-1	102	250.234	4	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	1.18	5.31	-8.67	1	7	0	99	251.242	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42161947
• 62874438
  

  Analogs

  15443060

  

  Popular Name: (3S)-3-methyl-1-(5-nitro-2-pyridyl)piperidine-3-carboxylic (3S)-3-methyl-1-(5-nitro-2-pyrid…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 63136380

  • Enamine BB Make on Demand

    • BBV-37043508

  • UORSY BB Make-on-demand

    • BBV-37043508

  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)	1.53	8.26	-49.43	0	7	-1	102	264.261	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC62874438
• 62874439
  

  Analogs

  15443060

  

  Popular Name: (3R)-3-methyl-1-(5-nitro-2-pyridyl)piperidine-3-carboxylic (3R)-3-methyl-1-(5-nitro-2-pyrid…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 63136380

  • Enamine BB Make on Demand

    • BBV-37043508

  • UORSY BB Make-on-demand

    • BBV-37043508

  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)	1.53	8.23	-49.35	0	7	-1	102	264.261	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC62874439
• 15443060
  

  Analogs

  15443061

  

  42161945

  

  42161947

  

  62874438

  

  62874439

  

  Popular Name: 1-(5-Nitropyridin-2-yl)-3-piperidinecarboxylicacid 1-(5-Nitropyridin-2-yl)-3-piperi…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • AK Scientific

    • 3714AF

  • Chembo Pharma

    • KB-143100

  • Fluorochem

    • 034069

  • Matrix Scientific

    • 024426

  • Molport BB

    • MolPort-000-896-731

  And 7 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)	1.29	5.45	-51.98	0	7	-1	102	250.234	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC15443060