User Information

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

ZINC40055790

• 40055790

Physical Representations

Activity (Go SEA)

• 10233076
  

  Analogs

  38714738

  

  38714740

  

  38714742

  

  38714744

  

  38714747

  

  Popular Name: chloro-(3-dimethylaminopropyl)-methyl-(p-tolyl)BLAHdione chloro-(3-dimethylaminopropyl)-m…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 5660635

  • Innovapharm

    • STT-00281227

  • Life Chemicals

    • F3227-0569

  • Mcule

    • MCULE-9689788447

  • Otava

    • 1005028

  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)	4.62	3.13	-42.13	1	5	1	54	425.936	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC10233076
• 10233075
  

  Analogs

  10233076

  

  38714738

  

  38714740

  

  38714742

  

  38714744

  

  Popular Name: chloro-(3-dimethylaminopropyl)-methyl-(p-tolyl)BLAHdione chloro-(3-dimethylaminopropyl)-m…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 5660635

  • Innovapharm

    • STT-00281227

  • Life Chemicals

    • F3227-0569

  • Mcule

    • MCULE-9689788447

  • Otava

    • 1005028

  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)	4.62	3.3	-42.9	1	5	1	54	425.936	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC10233075
• 10233073
  

  Analogs

  10233074

  

  10233075

  

  10233076

  

  38714738

  

  38714740

  

  Popular Name: chloro-(3-dimethylaminopropyl)-methyl-phenyl-BLAHdione chloro-(3-dimethylaminopropyl)-m…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 5660633

  • Innovapharm

    • STT-00281223

  • Life Chemicals

    • F3227-0568

  • Mcule

    • MCULE-9872285165

  • Otava

    • 1005024

  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)	4.17	2.98	-42.72	1	5	1	54	411.909	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC10233073
• 10233074
  

  Analogs

  10233075

  

  10233076

  

  38714738

  

  38714740

  

  38714742

  

  Popular Name: chloro-(3-dimethylaminopropyl)-methyl-phenyl-BLAHdione chloro-(3-dimethylaminopropyl)-m…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 5660633

  • Innovapharm

    • STT-00281223

  • Life Chemicals

    • F3227-0568

  • Mcule

    • MCULE-9872285165

  • Otava

    • 1005024

  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)	4.17	3.04	-42.84	1	5	1	54	411.909	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC10233074
• 16753701
  

  Analogs

  39912816

  

  39912817

  

  39912818

  

  39912819

  

  39912820

  

  Popular Name: (1R)-7-chloro-1-(4-ethylphenyl)-2-(3-hydroxypropyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-7-chloro-1-(4-ethylphenyl)-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK909276

  • eMolecules

    • 9373716

  • Innovapharm

    • STT-00151056

  • Mcule

    • MCULE-7974592706

  • Otava

    • 1689046

  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)	4.42	9.26	-10.93	1	5	0	71	411.885	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC16753701
• 16753698
  

  Analogs

  16753701

  

  39912816

  

  39912817

  

  39912818

  

  39912819

  

  Popular Name: (1S)-7-chloro-1-(4-ethylphenyl)-2-(3-hydroxypropyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-7-chloro-1-(4-ethylphenyl)-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK909276

  • eMolecules

    • 9373716

  • Innovapharm

    • STT-00151056

  • Mcule

    • MCULE-7974592706

  • Otava

    • 1689046

  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)	4.42	9.27	-10.85	1	5	0	71	411.885	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC16753698
• 16752394
  

  Analogs

  16752397

  

  39912818

  

  39912819

  

  39912824

  

  39912825

  

  Popular Name: (1S)-7-chloro-2-(3-hydroxypropyl)-1-(4-methoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-7-chloro-2-(3-hydroxypropyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK908203

  • eMolecules

    • 9373738

  • Innovapharm

    • STT-00149668

  • Mcule

    • MCULE-8804578873

  • Otava

    • 1692391

  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)	3.56	7.13	-12.01	1	6	0	80	413.857	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC16752394
• 16752397
  

  Analogs

  39912828

  

  39912829

  

  39912838

  

  39912839

  

  39912840

  

  Popular Name: (1R)-7-chloro-2-(3-hydroxypropyl)-1-(4-methoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-7-chloro-2-(3-hydroxypropyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK908203

  • eMolecules

    • 9373738

  • Innovapharm

    • STT-00149668

  • Mcule

    • MCULE-8804578873

  • Otava

    • 1692391

  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)	3.56	7.12	-11.99	1	6	0	80	413.857	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC16752397
• 16752027
  

  Analogs

  16753698

  

  16753701

  

  39912818

  

  39912819

  

  39912820

  

  Popular Name: (1R)-1-(4-tert-butylphenyl)-7-chloro-2-(3-hydroxypropyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dion (1R)-1-(4-tert-butylphenyl)-7-ch…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK907994

  • eMolecules

    • 9373710

  • Innovapharm

    • STT-00149325

  • Mcule

    • MCULE-1743205388

  • Otava

    • 1687948

  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)	5.21	10.14	-10.68	1	5	0	71	439.939	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC16752027