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• Synonyms (0)
• Vendors (1)
• Annotations (2)
• Representations (2)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (4)

ZINC24718220

• 24718220

Physical Representations

Activity (Go SEA)

• 34560898
  

  Analogs

  24718220

  

  Popular Name: 4,4-diphenyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-one 4,4-diphenyl-2-[4-(trifluorometh…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • IBM Patent Data

    • 136253543

  • PubChem

    • 15463558

  • SureChEMBL

    • SCHEMBL6590512

  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)	4.27	10.42	-15.27	1	3	0	41	380.369	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34560898
• 34560904
  

  Analogs

  24718220

  

  Popular Name: 2-[3-(aminomethyl)phenyl]-4,4-diphenyl-1H-imidazol-5-one 2-[3-(aminomethyl)phenyl]-4,4-di…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • IBM Patent Data

    • 136121953

  • PubChem

    • 15463561

  • SureChEMBL

    • SCHEMBL8189908

  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)	2.53	7.45	-57.62	4	4	1	69	342.422	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.53	6.76	-68.85	3	4	0	71	341.414	4	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	2.53	8.38	-101.73	5	4	2	71	343.43	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34560904
• 34560908
  

  Analogs

  24718220

  

  Popular Name: 2-[3-(dimethylaminomethyl)phenyl]-4,4-diphenyl-1H-imidazol-5-one 2-[3-(dimethylaminomethyl)phenyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • IBM Patent Data

    • 135818363

  • PubChem

    • 54242514
    • 15463564

  • SureChEMBL

    • SCHEMBL8190098

  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)	3.15	11.31	-48.9	2	4	1	46	370.476	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.15	9.21	-8.22	1	4	0	45	369.468	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34560908
• 34560910
  

  Analogs

  24718220

  

  Popular Name: 2-(3-nitrophenyl)-4,4-diphenyl-1H-imidazol-5-one 2-(3-nitrophenyl)-4,4-diphenyl-1…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • IBM Patent Data

    • 135829215

  • PubChem

    • 15463565

  • SureChEMBL

    • SCHEMBL6601112

  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)	3.31	10.13	-24.14	1	6	0	87	357.369	4	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	3.31	11.03	-44.71	2	6	1	89	358.377	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34560910