User Information

• Synonyms (0)
• Vendors (0)
• Annotations (2)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (9)

ZINC16426244

• 16426244

Physical Representations

Activity (Go SEA)

• 29135253
  

  Analogs

  33580083

  

  33580084

  

  33714786

  

  33714787

  

  33806894

  

  Popular Name: 1-[(1R)-1-[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]ethyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]ure 1-[(1R)-1-[3-(4-fluorophenyl)-4-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL409628

  • ChEMBL19

    • CHEMBL409628

  • ChemDB

    • 5874719

  • PubChem

    • 4301000

  • SureChEMBL

    • SCHEMBL7254145

  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)	5.18	13.28	-14.22	1	6	0	67	484.453	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC29135253
• 29135255
  

  Analogs

  33580083

  

  33580084

  

  33714786

  

  33714787

  

  33806894

  

  Popular Name: 1-[(1S)-1-[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]ethyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]ure 1-[(1S)-1-[3-(4-fluorophenyl)-4-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL409628

  • ChEMBL19

    • CHEMBL409628

  • ChemDB

    • 5874719

  • PubChem

    • 4301000

  • SureChEMBL

    • SCHEMBL7254145

  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)	5.18	13.26	-14.58	1	6	0	67	484.453	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC29135255
• 35066114
  

  Analogs

  16424832

  

  16424835

  

  16424838

  

  16424841

  

  16424848

  

  Popular Name: 3-(2,6-diisopropylphenyl)-1-[(1S)-1-[3-(m-tolyl)-4-oxo-quinazolin-2-yl]propyl]-1-propyl-urea 3-(2,6-diisopropylphenyl)-1-[(1S…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL602013

  • ChEMBL19

    • CHEMBL602013

  • Collaborative Drug Discovery

    • 1007927

  • PubChem

    • 42718651

  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)	7.21	19.02	-12.98	1	6	0	67	538.736	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35066114
• 35066116
  

  Analogs

  16424832

  

  16424835

  

  16424838

  

  16424841

  

  16424848

  

  Popular Name: 3-(2,6-diisopropylphenyl)-1-[(1R)-1-[3-(m-tolyl)-4-oxo-quinazolin-2-yl]propyl]-1-propyl-urea 3-(2,6-diisopropylphenyl)-1-[(1R…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL602013

  • ChEMBL19

    • CHEMBL602013

  • Collaborative Drug Discovery

    • 1007927

  • PubChem

    • 42718651

  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)	7.21	19.38	-13.75	1	6	0	67	538.736	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35066116
• 49709868
  

  Analogs

  33580083

  

  33580084

  

  16424195

  

  Popular Name: 3-(3,4-dichlorophenyl)-1-[(1R)-1-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]propyl]-1-isopentyl-urea 3-(3,4-dichlorophenyl)-1-[(1R)-1…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL577001

  • ChEMBL19

    • CHEMBL577001

  • Collaborative Drug Discovery

    • 1007512

  • PubChem

    • 45488708

  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)	8.40	17.72	-10.88	1	6	0	67	565.545	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49709868
• 49709870
  

  Analogs

  33580083

  

  33580084

  

  16424195

  

  Popular Name: 3-(3,4-dichlorophenyl)-1-[(1S)-1-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]propyl]-1-isopentyl-urea 3-(3,4-dichlorophenyl)-1-[(1S)-1…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL577001

  • ChEMBL19

    • CHEMBL577001

  • Collaborative Drug Discovery

    • 1007512

  • PubChem

    • 45488708

  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)	8.40	18.43	-14.75	1	6	0	67	565.545	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49709870
• 49744924
  

  Analogs

  16424716

  

  16424717

  

  16424817

  

  16424818

  

  Popular Name: 1-butyl-1-[(1S)-1-[3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazolin-2-yl]ethyl]-3-(4-ethoxyphenyl)urea 1-butyl-1-[(1S)-1-[3-(3-chloro-4…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL585789

  • ChEMBL19

    • CHEMBL585789

  • Collaborative Drug Discovery

    • 1007356

  • PubChem

    • 45488596

  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)	6.99	15.44	-14.22	1	7	0	76	537.035	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49744924
• 49744926
  

  Analogs

  16424716

  

  16424717

  

  16424810

  

  16424812

  

  16424817

  

  Popular Name: 1-butyl-1-[(1R)-1-[3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazolin-2-yl]ethyl]-3-(4-ethoxyphenyl)urea 1-butyl-1-[(1R)-1-[3-(3-chloro-4…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL585789

  • ChEMBL19

    • CHEMBL585789

  • Collaborative Drug Discovery

    • 1007356

  • PubChem

    • 45488596

  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)	6.99	14.62	-12.71	1	7	0	76	537.035	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49744926
• 49762662
  

  Analogs

  16424857

  

  16425252

  

  16425362

  

  16425365

  

  Popular Name: 3-(2,6-diisopropylphenyl)-1-[(1R)-1-[3-(m-tolyl)-4-oxo-quinazolin-2-yl]propyl]-1-phenethyl-urea 3-(2,6-diisopropylphenyl)-1-[(1R…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL600697

  • ChEMBL19

    • CHEMBL600697

  • Collaborative Drug Discovery

    • 1010187

  • PubChem

    • 45488212

  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)	8.12	22.24	-13.72	1	6	0	67	600.807	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49762662