User Information

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

ZINC05844604

• 5844604

Physical Representations

Activity (Go SEA)

• 13741955
  

  Analogs

  13741956

  

  5844604

  

  Popular Name: 7-[3-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY)-2-HYDROXYPROPOXY]-4-OXO-8-PROPYL-4H-1-BENZOPYRAN-2-CARBOXYLIC ACID 7-[3-(4-ACETYL-3-HYDROXY-2-PROPY…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Active BioPharma

    • 964

  • Sigma Aldrich (Building Blocks)

    • F1179|SIGMA

  • Tetrahedron Building Blocks

    • TS72647

  • ChemMol

    • 97900457

  • BindingDB.org

    • 50006812

  And 20 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)	4.77	10.26	-59.01	2	9	-1	146	497.52	12	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	4.77	11.27	-106.46	1	9	-2	149	496.512	12	↓ MOL2 SDF SMILES Flexibase

  More about ZINC13741955
• 13741956
  

  Analogs

  5844604

  

  Popular Name: 7-[3-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY)-2-HYDROXYPROPOXY]-4-OXO-8-PROPYL-4H-1-BENZOPYRAN-2-CARBOXYLIC ACID 7-[3-(4-ACETYL-3-HYDROXY-2-PROPY…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Active BioPharma

    • 964

  • Sigma Aldrich (Building Blocks)

    • F1179|SIGMA

  • Tetrahedron Building Blocks

    • TS72647

  • ChemMol

    • 97900457

  • BindingDB.org

    • 50006812

  And 20 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)	4.77	10.26	-59.18	2	9	-1	146	497.52	12	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	4.77	11.27	-106.59	1	9	-2	149	496.512	12	↓ MOL2 SDF SMILES Flexibase

  More about ZINC13741956
• 1038880
  

  Analogs

  5844604

  

  5844608

  

  Popular Name: ethyl 5-(benzyloxy)-4-oxo-8-propyl-4H-chromene-2-carboxylate ethyl 5-(benzyloxy)-4-oxo-8-prop…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 5802113

  • Molport

    • MolPort-002-893-127

  • Maybridge

    • BTB10006

  • ChEMBL12

    • CHEMBL1368063

  • ChEMBL19

    • CHEMBL1368063

  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)	5.13	13.26	-12.13	0	5	0	66	366.413	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01038880
• 1530788
  

  Analogs

  3632886

  

  5844604

  

  5844608

  

  33755106

  

  33986309

  

  Popular Name: CROMOLYN SODIUM CROMOLYN SODIUM

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 1935083

  • Molport

    • MolPort-002-509-361

  • AK Scientific

    • H769
    • O542

  • Angene Building Blocks

    • AGN-PC-0Q7FSO

  And 118 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)	2.32	10.29	-117.69	1	11	-2	179	466.354	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01530788
• 1038886
  

  Analogs

  5844604

  

  5844608

  

  Popular Name: ethyl 5-(benzyloxy)-8-(tert-butyl)-4-oxo-4H-chromene-2-carboxylate ethyl 5-(benzyloxy)-8-(tert-buty…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 5844165

  • Molport

    • MolPort-002-893-159

  • Maybridge

    • BTB10111

  • ChemDB

    • 4742264

  • PubChem

    • 2801553

  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)	5.53	4.84	-11.87	0	5	0	65	380.44	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01038886
• 1530604
  

  Analogs

  1530605

  

  5844604

  

  5844608

  

  Popular Name: Cromolyn Cromolyn

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-016-634-102

  • Enamine Building Blocks

    • EN300-49848

  • FineTech

    • FT-0601561

  • Mcule

    • MCULE-4192254415

  • Molport BB

    • MolPort-016-634-102

  And 12 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)	2.34	9.17	-106.2	1	11	-2	179	466.354	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01530604
• 1530605
  

  Analogs

  5844604

  

  5844608

  

  1530604

  

  Popular Name: Cromolyn Cromolyn

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-016-634-102

  • Enamine Building Blocks

    • EN300-49848

  • FineTech

    • FT-0601561

  • Mcule

    • MCULE-4192254415

  • Molport BB

    • MolPort-016-634-102

  And 10 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)	2.34	9.18	-106.24	1	11	-2	179	466.354	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01530605