User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (3)
• Analogs (7)

ZINC41670033

• 41670033

Physical Representations

Activity (Go SEA)

• 49750348
  

  Analogs

  41670033

  

  41670054

  

  Popular Name: 3-[[2-(3-methyl-2-oxo-1-pyridyl)acetyl]amino]benzoic 3-[[2-(3-methyl-2-oxo-1-pyridyl)…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Otava (Virtual)

    • 2092208

  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)	1.42	7.06	-77.74	1	6	-1	91	285.279	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49750348
• 38342464
  

  Analogs

  41670004

  

  41670033

  

  43593426

  

  21793609

  

  Popular Name: 1-[(diethylcarbamoyl)methyl]-2-oxo-1,2-dihydropyridine-3-carboxylic acid 1-[(diethylcarbamoyl)methyl]-2-o…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 31412348

  • Molport

    • MolPort-014-143-380

  • Enamine Building Blocks

    • EN300-55810

  • Molport BB

    • MolPort-014-143-380

  • Ryan Scientific BB

    • 000-38918

  And 4 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)	-0.05	7.35	-77.57	0	6	-1	82	251.262	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC38342464
• 14381273
  

  Analogs

  41670004

  

  41670033

  

  41670054

  

  41670062

  

  41670228

  

  Popular Name: methyl methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 30692538

  • Molport

    • MolPort-004-561-572

  • Enamine

    • Z229832412

  • Mcule

    • MCULE-5550418782

  • ZereneX

    • ZX-SC-EM003236

  And 3 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)	1.68	7.13	-17.5	1	6	0	77	300.314	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC14381273
• 14140156
  

  Analogs

  14381262

  

  41670004

  

  41670033

  

  41670062

  

  41670280

  

  Popular Name: methyl methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 13482612

  • Molport

    • MolPort-004-561-571

  • Enamine

    • Z168822182

  • Mcule

    • MCULE-4776738408

  • ZereneX

    • ZX-SC-EM002536

  And 3 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)	1.64	7.34	-17.39	1	6	0	77	300.314	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC14140156
• 14200168
  

  Analogs

  14381322

  

  21813466

  

  41670004

  

  41670033

  

  41670054

  

  Popular Name: methyl methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Mcule

    • MCULE-5038071888

  • UORSY

    • PB229909794

  • ZereneX

    • ZX-SC-EM002686

  • PubChem

    • 17470656

  • Mcule Make-on-demand

    • MCULE-5038071888

  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)	1.66	7.12	-17.73	1	6	0	77	300.314	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC14200168
• 12768185
  

  Analogs

  14381248

  

  41670004

  

  41670033

  

  41670326

  

  41670346

  

  Popular Name: methyl methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 16751670

  • Molport

    • MolPort-005-653-703

  • Enamine

    • Z168822178

  • Mcule

    • MCULE-3666915070

  • ZereneX

    • ZX-SC-EM002535

  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)	2.94	8.77	-17.07	1	6	0	77	342.395	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC12768185
• 14381383
  

  Analogs

  22322705

  

  41670004

  

  41670033

  

  41670062

  

  41670296

  

  Popular Name: methyl methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Mcule

    • MCULE-1326141127

  • UORSY

    • PB168899740

  • ZereneX

    • ZX-SC-EM002544

  • PubChem

    • 24609516

  • Mcule Make-on-demand

    • MCULE-1326141127

  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)	1.50	8.82	-16.99	1	6	0	77	328.368	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC14381383