User Information

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

ZINC21640038

• 21640038

Physical Representations

Activity (Go SEA)

• 21262417
  

  Analogs

  21639930

  

  21640002

  

  21640032

  

  21640038

  

  21640049

  

  Popular Name: 6-[(2,3-difluorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine 6-[(2,3-difluorophenyl)methyl]-2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 16315527

  • Molport

    • MolPort-007-857-835

  • ChEMBL12

    • CHEMBL1711699

  • ChEMBL19

    • CHEMBL1711699

  • PubChem

    • 16028195

  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)	2.93	11.3	-40.75	1	5	1	37	374.459	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.93	9.08	-11.04	0	5	0	35	373.451	4	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	2.93	11.62	-96.62	2	5	2	38	375.467	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21262417
• 21039385
  

  Analogs

  21639930

  

  21640002

  

  21640032

  

  21640038

  

  21640049

  

  Popular Name: 6-[(3,5-difluorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine 6-[(3,5-difluorophenyl)methyl]-2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL1512412

  • ChEMBL19

    • CHEMBL1512412

  • PubChem

    • 16028193

  • AKOS (make-on-demand)

    • AKOS002008362

  • Ambinter

    • Amb16538636

  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)	2.96	11.29	-38.34	1	5	1	37	374.459	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.96	9.08	-8.03	0	5	0	35	373.451	4	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	2.96	11.62	-93.33	2	5	2	38	375.467	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21039385