User Information

• Synonyms (0)
• Vendors (10)
• Annotations (2)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (10)

ZINC20308904

• 20308904

Physical Representations

Activity (Go SEA)

• 35515423
  

  Analogs

  35515424

  

  38713306

  

  38713309

  

  38728837

  

  38728839

  

  Popular Name: (1R)-1-(3,4-diethoxyphenyl)-7-methyl-2-(2-morpholinoethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(3,4-diethoxyphenyl)-7-me…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00120045

  • ChemDB

    • 7083430

  • PubChem

    • 4709271

  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)	3.54	9.37	-12.95	0	8	0	81	492.572	8	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.54	11.64	-47.67	1	8	1	83	493.58	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35515423
• 35515424
  

  Analogs

  38713306

  

  38713309

  

  38728837

  

  38728839

  

  38728845

  

  Popular Name: (1S)-1-(3,4-diethoxyphenyl)-7-methyl-2-(2-morpholinoethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(3,4-diethoxyphenyl)-7-me…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00120045

  • ChemDB

    • 7083430

  • PubChem

    • 4709271

  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)	3.54	9.81	-13.49	0	8	0	81	492.572	8	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.54	12.07	-49.94	1	8	1	83	493.58	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35515424
• 38728837
  

  Analogs

  38728839

  

  38728845

  

  38728847

  

  20308902

  

  Popular Name: (1R)-1-(4-ethoxy-3-methoxy-phenyl)-7-ethyl-2-(2-morpholinoethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(4-ethoxy-3-methoxy-pheny…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00273219

  • PubChem

    • 23472893

  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)	3.63	9.67	-12.96	0	8	0	81	492.572	8	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.63	11.94	-49.12	1	8	1	83	493.58	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC38728837
• 38728839
  

  Analogs

  38728845

  

  38728847

  

  38728837

  

  20308902

  

  Popular Name: (1S)-1-(4-ethoxy-3-methoxy-phenyl)-7-ethyl-2-(2-morpholinoethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(4-ethoxy-3-methoxy-pheny…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00273219

  • PubChem

    • 23472893

  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)	3.63	9.2	-13.09	0	8	0	81	492.572	8	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.63	11.48	-48.03	1	8	1	83	493.58	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC38728839
• 38728845
  

  Analogs

  38728847

  

  38713306

  

  38713309

  

  38728837

  

  Popular Name: (1R)-1-(3,4-diethoxyphenyl)-7-ethyl-2-(2-morpholinoethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(3,4-diethoxyphenyl)-7-et…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00273221

  • PubChem

    • 23472895

  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)	4.00	10.59	-12.78	0	8	0	81	506.599	9	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	4.00	12.86	-49.09	1	8	1	83	507.607	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC38728845
• 38728847
  

  Analogs

  38728837

  

  38728839

  

  38728845

  

  Popular Name: (1S)-1-(3,4-diethoxyphenyl)-7-ethyl-2-(2-morpholinoethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(3,4-diethoxyphenyl)-7-et…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00273221

  • PubChem

    • 23472895

  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)	4.00	10.12	-12.68	0	8	0	81	506.599	9	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	4.00	12.39	-47.62	1	8	1	83	507.607	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC38728847
• 8254245
  

  Analogs

  8254251

  

  8254275

  

  8254283

  

  11614761

  

  11614762

  

  Popular Name: 2-dimethylaminoethyl-(3-ethoxy-4-hydroxy-phenyl)-methyl-BLAHdione 2-dimethylaminoethyl-(3-ethoxy-4…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00115880

  • ChemDB

    • 7079732

  • PubChem

    • 4705595

  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)	3.01	1.21	-45.11	2	7	1	84	423.489	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC08254245
• 8254275
  

  Analogs

  8254283

  

  11614761

  

  11614762

  

  20308902

  

  20308904

  

  Popular Name: 2-dimethylaminoethyl-(3-ethoxy-4-hydroxy-phenyl)-methyl-BLAHdione 2-dimethylaminoethyl-(3-ethoxy-4…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00115880

  • ChemDB

    • 7079732

  • PubChem

    • 4705595

  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)	3.01	1.19	-44.92	2	7	1	84	423.489	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC08254275
• 2408489
  

  Analogs

  2408490

  

  20308902

  

  20308904

  

  20393627

  

  20393630

  

  Popular Name: (1S)-1-(4-ethoxy-3-methoxy-phenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-qui (1S)-1-(4-ethoxy-3-methoxy-pheny…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Pharmeks

    • PHAR153931

  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)	2.74	1.04	-49.01	1	8	1	82	465.526	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02408489
• 2408490
  

  Analogs

  20308902

  

  20308904

  

  20393627

  

  20393630

  

  35515354

  

  Popular Name: (1R)-1-(4-ethoxy-3-methoxy-phenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-qui (1R)-1-(4-ethoxy-3-methoxy-pheny…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Pharmeks

    • PHAR153931

  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)	2.74	1.03	-48.72	1	8	1	82	465.526	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02408490