User Information

• Synonyms (1)
• Vendors (7)
• Annotations (2)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (4)

ZINC05952366

• 5952366

Physical Representations

Activity (Go SEA)

• 21768532
  

  Analogs

  21768650

  

  45163752

  

  7813502

  

  Popular Name: N,N-dimethyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide N,N-dimethyl-2,3-dihydro-1,4-ben…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Chembo Pharma

    • KB-102881

  • UORSY Make-on-demand

    • PB32092464

  • AKOS (make-on-demand)

    • AKOS008584971

  • Enamine BB Make on Demand

    • BBV-39254096

  • UORSY BB Make-on-demand

    • BBV-39254096

  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)	0.41	3.5	-12.04	0	4	0	39	207.229	1	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21768532
• 34940535
  

  Analogs

  42590477

  

  22757429

  

  13582442

  

  Popular Name: N-(2-aminoethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide N-(2-aminoethyl)-2,3-dihydro-1,4…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm BB Make on Demand

    • BBV-00045696

  • PubChem

    • 43119090

  • Enamine BB Make on Demand

    • BBV-32814767

  • UORSY BB Make-on-demand

    • BBV-223528

  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)	-0.56	0.13	-56.11	4	5	1	75	223.252	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	-0.56	-0.25	-12.15	3	5	0	74	222.244	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34940535
• 36792868
  

  Analogs

  37853901

  

  4776146

  

  Popular Name: N-(2-hydroxyethyl)-N-isopropyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide N-(2-hydroxyethyl)-N-isopropyl-2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43573025

  • Enamine BB Make on Demand

    • BBV-25200604

  • UORSY BB Make-on-demand

    • BBV-25200604

  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)	0.45	2.31	-16.32	1	5	0	59	265.309	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36792868
• 37853901
  

  Analogs

  45581625

  

  36792868

  

  35101006

  

  Popular Name: N-(2-hydroxyethyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide N-(2-hydroxyethyl)-N-methyl-2,3-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60652769

  • Enamine BB Make on Demand

    • BBV-32182514

  • UORSY BB Make-on-demand

    • BBV-32182514

  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)	-0.22	2.12	-15.25	1	5	0	59	237.255	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37853901