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• Synonyms (0)
• Vendors (2)
• Annotations (2)
• Representations (3)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (9)

ZINC06621234

• 6621234

Physical Representations

Activity (Go SEA)

• 8836460
  

  Analogs

  33723417

  

  33723418

  

  33723672

  

  33723673

  

  33724102

  

  Popular Name: 5-(2-fluorophenyl)-4-[hydroxy-(3-methoxyphenyl)-methylene]-1-(3-morpholinopropyl)pyrrolidine-2,3-dio 5-(2-fluorophenyl)-4-[hydroxy-(3…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK563529

  • eMolecules

    • 46486318
    • 4502307

  • IBScreen

    • STOCK3S-39696

  • Innovapharm

    • STT-00069255

  And 18 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)	2.67	7.22	-61.15	0	7	-1	82	453.49	8	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.67	9.56	-80.27	1	7	0	83	454.498	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC08836460
• 9411347
  

  Analogs

  40096356

  

  40096357

  

  40096449

  

  40096451

  

  40096574

  

  Popular Name: 4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl-hydroxy-methylene)-5-(2-fluorophenyl)-1-(2-methoxye 4-(2,5-dioxabicyclo[4.4.0]deca-7…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK819416
    • STL051799

  • eMolecules

    • 46544149
    • 4553095

  • Enamine

    • Z57382658

  And 16 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)	1.99	6.09	-61.41	0	7	-1	88	412.393	6	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	1.99	5.27	-15.68	1	7	0	85	413.401	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC09411347
• 9411348
  

  Analogs

  40096356

  

  40096357

  

  40096449

  

  40096451

  

  40096574

  

  Popular Name: 4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl-hydroxy-methylene)-5-(2-fluorophenyl)-1-(2-methoxye 4-(2,5-dioxabicyclo[4.4.0]deca-7…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK819416
    • STL051799

  • eMolecules

    • 46544149
    • 4553095

  • Enamine

    • Z57382658

  And 16 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)	1.99	6.89	-63.09	0	7	-1	88	412.393	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.40	-0.27	-17.19	0	7	0	82	413.401	6	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	1.99	6.07	-17.28	1	7	0	85	413.401	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC09411348
• 20133196
  

  Analogs

  33723417

  

  33723418

  

  33723672

  

  33723673

  

  33724102

  

  Popular Name: (5R)-1-(3-diethylaminopropyl)-5-(2-fluorophenyl)-3-hydroxy-4-(3-methoxybenzoyl)-5H-pyrrol-2-one (5R)-1-(3-diethylaminopropyl)-5-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STL149613

  • eMolecules

    • 46557196
    • 4496312

  • IBScreen

    • STOCK3S-32325

  • Innovapharm

    • STT-00066824

  And 17 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)	3.58	11.49	-75.52	1	6	0	74	440.515	10	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	3.58	10.66	-51.65	2	6	1	71	441.523	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20133196
• 20133201
  

  Analogs

  33723417

  

  33723418

  

  33723672

  

  33723673

  

  33724102

  

  Popular Name: (5S)-1-(3-diethylaminopropyl)-5-(2-fluorophenyl)-3-hydroxy-4-(3-methoxybenzoyl)-5H-pyrrol-2-one (5S)-1-(3-diethylaminopropyl)-5-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STL149613

  • eMolecules

    • 46557196
    • 4496312

  • IBScreen

    • STOCK3S-32325

  • Innovapharm

    • STT-00066824

  And 17 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)	3.58	11.49	-76.15	1	6	0	74	440.515	10	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	3.58	10.66	-51.84	2	6	1	71	441.523	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20133201
• 20149932
  

  Analogs

  33723417

  

  33723418

  

  33723672

  

  33723673

  

  33724102

  

  Popular Name: (5S)-1-(3-dimethylaminopropyl)-5-(2-fluorophenyl)-3-hydroxy-4-(3-methoxybenzoyl)-5H-pyrrol-2-one (5S)-1-(3-dimethylaminopropyl)-5…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK560145

  • eMolecules

    • 46482020
    • 4501747

  • Enamine

    • Z316169490

  • IBScreen

    • STOCK3S-39065

  And 19 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)	2.83	10.1	-79.29	1	6	0	74	412.461	8	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	2.83	9.27	-54.09	2	6	1	71	413.469	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20149932
• 20149933
  

  Analogs

  33723417

  

  33723418

  

  33723672

  

  33723673

  

  33724102

  

  Popular Name: (5R)-1-(3-dimethylaminopropyl)-5-(2-fluorophenyl)-3-hydroxy-4-(3-methoxybenzoyl)-5H-pyrrol-2-one (5R)-1-(3-dimethylaminopropyl)-5…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK560145

  • eMolecules

    • 46482020
    • 4501747

  • Enamine

    • Z316169490

  • IBScreen

    • STOCK3S-39065

  And 19 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)	2.83	10.16	-78.71	1	6	0	74	412.461	8	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	2.83	9.33	-53.71	2	6	1	71	413.469	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20149933
• 41541128
  

  Analogs

  41541131

  

  33780753

  

  33780754

  

  Popular Name: (2S)-3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-o (2S)-3-(2,3-dihydro-1,4-benzodio…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 52155310

  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)	2.00	6.86	-58.54	0	6	-1	79	368.34	3	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	2.00	6.11	-14.06	1	6	0	76	369.348	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC41541128
• 41541131
  

  Analogs

  6620895

  

  Popular Name: (2R)-3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-o (2R)-3-(2,3-dihydro-1,4-benzodio…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 52155312

  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)	2.00	6.81	-58.77	0	6	-1	79	368.34	3	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	2.00	6.06	-14.09	1	6	0	76	369.348	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC41541131