User Information

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

ZINC16426946

• 16426946

Physical Representations

Activity (Go SEA)

• 36184715
  

  Analogs

  36184716

  

  4915766

  

  4915774

  

  Popular Name: N-(2-dimethylaminoethyl)-N-[(1S)-1-[4-oxo-3-(p-tolyl)quinazolin-2-yl]ethyl]decanamide N-(2-dimethylaminoethyl)-N-[(1S)…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • BindingDB.org

    • 50167781

  • ChEMBL12

    • CHEMBL193448

  • ChEMBL12 10uM

    • CHEMBL193448

  • ChEMBL19

    • CHEMBL193448

  • PubChem

    • 23593653

  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)	7.06	17.88	-48.09	1	6	1	60	505.727	14	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36184715
• 36184716
  

  Analogs

  4915766

  

  4915774

  

  Popular Name: N-(2-dimethylaminoethyl)-N-[(1R)-1-[4-oxo-3-(p-tolyl)quinazolin-2-yl]ethyl]decanamide N-(2-dimethylaminoethyl)-N-[(1R)…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • BindingDB.org

    • 50167781

  • ChEMBL12

    • CHEMBL193448

  • ChEMBL12 10uM

    • CHEMBL193448

  • ChEMBL19

    • CHEMBL193448

  • PubChem

    • 23593653

  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)	7.06	18.64	-58.24	1	6	1	60	505.727	14	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36184716
• 36184721
  

  Analogs

  36184722

  

  4917144

  

  4917145

  

  Popular Name: N-[(1S)-1-[3-(3-cyanophenyl)-4-oxo-quinazolin-2-yl]ethyl]-N-(2-dimethylaminoethyl)decanamide N-[(1S)-1-[3-(3-cyanophenyl)-4-o…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • BindingDB.org

    • 50167784

  • ChEMBL12

    • CHEMBL197368

  • ChEMBL12 10uM

    • CHEMBL197368

  • ChEMBL19

    • CHEMBL197368

  • PubChem

    • 44402582

  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)	6.56	17.64	-47.15	1	7	1	83	516.71	14	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36184721
• 36184722
  

  Analogs

  4917144

  

  4917145

  

  Popular Name: N-[(1R)-1-[3-(3-cyanophenyl)-4-oxo-quinazolin-2-yl]ethyl]-N-(2-dimethylaminoethyl)decanamide N-[(1R)-1-[3-(3-cyanophenyl)-4-o…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • BindingDB.org

    • 50167784

  • ChEMBL12

    • CHEMBL197368

  • ChEMBL12 10uM

    • CHEMBL197368

  • ChEMBL19

    • CHEMBL197368

  • PubChem

    • 44402582

  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)	6.56	18.34	-58.09	1	7	1	83	516.71	14	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36184722
• 43490768
  

  Analogs

  43490771

  

  4928138

  

  4928140

  

  33579901

  

  Popular Name: N-(2-dimethylaminoethyl)-N-[(1S)-1-(4-oxo-3-phenyl-quinazolin-2-yl)ethyl]decanamide N-(2-dimethylaminoethyl)-N-[(1S)…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • BindingDB.org

    • 50167785

  • ChEMBL12

    • CHEMBL196248

  • ChEMBL19

    • CHEMBL196248

  • PubChem

    • 9913494

  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)	6.61	17.24	-48.52	1	6	1	60	491.7	14	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43490768
• 43490771
  

  Analogs

  4928138

  

  4928140

  

  33579901

  

  Popular Name: N-(2-dimethylaminoethyl)-N-[(1R)-1-(4-oxo-3-phenyl-quinazolin-2-yl)ethyl]decanamide N-(2-dimethylaminoethyl)-N-[(1R)…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • BindingDB.org

    • 50167785

  • ChEMBL12

    • CHEMBL196248

  • ChEMBL19

    • CHEMBL196248

  • PubChem

    • 9913494

  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)	6.61	17.96	-58.38	1	6	1	60	491.7	14	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43490771
• 49722764
  

  Analogs

  33575672

  

  16424924

  

  Popular Name: N-[(1R)-1-[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]propyl]-N-phenethyl-3-phenyl-propanamide N-[(1R)-1-[3-(4-fluorophenyl)-4-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL582689

  • ChEMBL19

    • CHEMBL582689

  • Collaborative Drug Discovery

    • 1009131

  • PubChem

    • 45489177

  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)	6.91	19.27	-11.04	0	5	0	55	533.647	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49722764
• 14191328
  

  Analogs

  16425672

  

  16425675

  

  16425703

  

  16426079

  

  16426081

  

  Popular Name: N-[(1S)-1-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]ethyl]-N-(2-dimethylaminoethyl)decanamide N-[(1S)-1-[3-(4-cyanophenyl)-4-o…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • BindingDB.org

    • 50167783

  • ChEMBL12

    • CHEMBL196885

  • ChEMBL12 10uM

    • CHEMBL196885

  • ChEMBL19

    • CHEMBL196885

  • PubChem

    • 11386761

  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)	6.37	17.64	-54.39	1	7	1	83	516.71	14	↓ MOL2 SDF SMILES Flexibase

  More about ZINC14191328
• 14191330
  

  Analogs

  16425672

  

  16425675

  

  16425703

  

  16426079

  

  16426081

  

  Popular Name: N-[(1R)-1-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]ethyl]-N-(2-dimethylaminoethyl)decanamide N-[(1R)-1-[3-(4-cyanophenyl)-4-o…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • BindingDB.org

    • 50167783

  • ChEMBL12

    • CHEMBL196885

  • ChEMBL12 10uM

    • CHEMBL196885

  • ChEMBL19

    • CHEMBL196885

  • PubChem

    • 11386761

  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)	6.37	17.69	-53.33	1	7	1	83	516.71	14	↓ MOL2 SDF SMILES Flexibase

  More about ZINC14191330