User Information

• Synonyms (0)
• Vendors (0)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (9)

ZINC40064785

• 40064785

Physical Representations

Activity (Go SEA)

• 16750172
  

  Analogs

  16752693

  

  16752695

  

  35487152

  

  35487153

  

  39910146

  

  Popular Name: (1R)-1-(4-hexoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(4-hexoxyphenyl)-2-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK882994

  • eMolecules

    • 9209282

  • Innovapharm

    • STT-00147714

  • Mcule

    • MCULE-9735857444

  • Otava

    • 1686741

  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)	5.33	11.86	-13.01	0	6	0	69	435.52	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC16750172
• 16750170
  

  Analogs

  16750172

  

  16752693

  

  16752695

  

  35487152

  

  35487153

  

  Popular Name: (1S)-1-(4-hexoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(4-hexoxyphenyl)-2-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK882994

  • eMolecules

    • 9209282

  • Innovapharm

    • STT-00147714

  • Mcule

    • MCULE-9735857444

  • Otava

    • 1686741

  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)	5.33	12.18	-13	0	6	0	69	435.52	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC16750170
• 7262613
  

  Analogs

  7262617

  

  7262622

  

  7262626

  

  39910132

  

  39910133

  

  Popular Name: 2-methoxyethyl-methyl-(4-propoxyphenyl)-BLAHdione 2-methoxyethyl-methyl-(4-propoxy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK910747

  • eMolecules

    • 9209332

  • Enamine

    • Z1213672259

  • Innovapharm

    • STT-00198161

  • Mcule

    • MCULE-2155142824

  And 8 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)	4.18	2.03	-10.75	0	6	0	68	407.466	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC07262613
• 7262622
  

  Analogs

  7262626

  

  39910132

  

  39910133

  

  39910134

  

  39910135

  

  Popular Name: 2-methoxyethyl-methyl-(4-propoxyphenyl)-BLAHdione 2-methoxyethyl-methyl-(4-propoxy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK910747

  • eMolecules

    • 9209332

  • Enamine

    • Z1213672259

  • Innovapharm

    • STT-00198161

  • Mcule

    • MCULE-2155142824

  And 8 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)	4.18	2.02	-12.73	0	6	0	68	407.466	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC07262622
• 16806448
  

  Analogs

  39910132

  

  39910133

  

  39910134

  

  39910135

  

  39910146

  

  Popular Name: (1R)-2-(2-hydroxyethyl)-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-2-(2-hydroxyethyl)-1-(4-pen…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK908577

  • eMolecules

    • 9829662

  • Enamine

    • Z1213668686

  • Innovapharm

    • STT-00150119

  • Mcule

    • MCULE-9193652772

  And 6 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)	4.20	9.02	-11.81	1	6	0	80	407.466	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC16806448
• 16806446
  

  Analogs

  39910122

  

  39910123

  

  39910132

  

  39910133

  

  39910134

  

  Popular Name: (1S)-2-(2-hydroxyethyl)-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-2-(2-hydroxyethyl)-1-(4-pen…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK908577

  • eMolecules

    • 9829662

  • Enamine

    • Z1213668686

  • Innovapharm

    • STT-00150119

  • Mcule

    • MCULE-9193652772

  And 6 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)	4.20	8.82	-14.29	1	6	0	80	407.466	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC16806446
• 7262626
  

  Analogs

  16752650

  

  16752653

  

  39910132

  

  39910133

  

  39910134

  

  Popular Name: 2-methoxyethyl-(4-propoxyphenyl)-BLAHdione 2-methoxyethyl-(4-propoxyphenyl)…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK882968

  • eMolecules

    • 9209236

  • Enamine

    • Z57907528

  • Innovapharm

    • STT-00147681

  • Mcule

    • MCULE-3795326789

  And 8 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)	3.76	1.7	-13.11	0	6	0	68	393.439	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC07262626
• 7262617
  

  Analogs

  7262622

  

  7262626

  

  16752650

  

  16752653

  

  39910286

  

  Popular Name: 2-methoxyethyl-(4-propoxyphenyl)-BLAHdione 2-methoxyethyl-(4-propoxyphenyl)…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK882968

  • eMolecules

    • 9209236

  • Enamine

    • Z57907528

  • Innovapharm

    • STT-00147681

  • Mcule

    • MCULE-3795326789

  And 8 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)	3.76	1.56	-13.1	0	6	0	68	393.439	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC07262617
• 6732797
  

  Analogs

  39909024

  

  39910290

  

  39910291

  

  39912767

  

  39912930

  

  Popular Name: (4-allyloxyphenyl)-(2-methoxyethyl)-dimethyl-BLAHdione (4-allyloxyphenyl)-(2-methoxyeth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK883003

  • eMolecules

    • 2579825

  • ChemDiv

    • 6872-1871

  • Innovapharm

    • STT-00147725

  • Mcule

    • MCULE-7411859971

  And 6 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)	4.32	2.69	-10.9	0	6	0	68	419.477	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC06732797