User Information

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

ZINC16430090

• 16430090

Physical Representations

Activity (Go SEA)

• 45303272
  

  Analogs

  33671618

  

  16426670

  

  Popular Name: 3-methoxy-N-[(1S)-1-[3-(2-methoxyphenyl)-4-oxo-quinazolin-2-yl]propyl]-N-pentyl-benzamide 3-methoxy-N-[(1S)-1-[3-(2-methox…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL579106

  • ChEMBL19

    • CHEMBL579106

  • Collaborative Drug Discovery

    • 1008466

  • PubChem

    • 45489040

  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)	6.06	14.87	-17.16	0	7	0	74	513.638	11	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45303272
• 45303273
  

  Analogs

  33671618

  

  16426670

  

  Popular Name: 3-methoxy-N-[(1R)-1-[3-(2-methoxyphenyl)-4-oxo-quinazolin-2-yl]propyl]-N-pentyl-benzamide 3-methoxy-N-[(1R)-1-[3-(2-methox…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL579106

  • ChEMBL19

    • CHEMBL579106

  • Collaborative Drug Discovery

    • 1008466

  • PubChem

    • 45489040

  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)	6.06	15.19	-19.23	0	7	0	74	513.638	11	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45303273
• 45366338
  

  Analogs

  33671618

  

  16425501

  

  16426664

  

  Popular Name: 4-tert-butyl-N-[(1S)-1-[3-(2-methoxyphenyl)-4-oxo-quinazolin-2-yl]propyl]-N-pentyl-benzamide 4-tert-butyl-N-[(1S)-1-[3-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL599092

  • ChEMBL19

    • CHEMBL599092

  • Collaborative Drug Discovery

    • 1011050

  • PubChem

    • 45488399

  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)	7.73	17.87	-15.11	0	6	0	64	539.72	11	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45366338
• 45366341
  

  Analogs

  33671618

  

  16425221

  

  Popular Name: 4-tert-butyl-N-[(1R)-1-[3-(2-methoxyphenyl)-4-oxo-quinazolin-2-yl]propyl]-N-pentyl-benzamide 4-tert-butyl-N-[(1R)-1-[3-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL599092

  • ChEMBL19

    • CHEMBL599092

  • Collaborative Drug Discovery

    • 1011050

  • PubChem

    • 45488399

  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)	7.73	18.22	-16.28	0	6	0	64	539.72	11	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45366341
• 49723198
  

  Analogs

  16424730

  

  16424731

  

  16425020

  

  Popular Name: N-[(1S)-1-[3-(4-chloro-2-methyl-phenyl)-4-oxo-quinazolin-2-yl]propyl]-N-hexyl-3-methoxy-benzamide N-[(1S)-1-[3-(4-chloro-2-methyl-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL582681

  • ChEMBL19

    • CHEMBL582681

  • Collaborative Drug Discovery

    • 1008976

  • PubChem

    • 45489215

  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)	7.61	17.72	-13.44	0	6	0	64	546.111	11	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49723198
• 49723199
  

  Analogs

  16424730

  

  16424731

  

  16425020

  

  Popular Name: N-[(1R)-1-[3-(4-chloro-2-methyl-phenyl)-4-oxo-quinazolin-2-yl]propyl]-N-hexyl-3-methoxy-benzamide N-[(1R)-1-[3-(4-chloro-2-methyl-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL582681

  • ChEMBL19

    • CHEMBL582681

  • Collaborative Drug Discovery

    • 1008976

  • PubChem

    • 45489215

  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)	7.61	17.71	-15.84	0	6	0	64	546.111	11	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49723199
• 49745171
  

  Analogs

  16426478

  

  16426481

  

  16426664

  

  Popular Name: 4-tert-butyl-N-hexyl-N-[(1R)-1-[3-(2-methoxyphenyl)-4-oxo-quinazolin-2-yl]propyl]benzamide 4-tert-butyl-N-hexyl-N-[(1R)-1-[…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL587058

  • ChEMBL19

    • CHEMBL587058

  • Collaborative Drug Discovery

    • 1008389

  • PubChem

    • 45489018

  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)	8.21	19	-16.25	0	6	0	64	553.747	12	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49745171
• 49767760
  

  Analogs

  16424730

  

  16424731

  

  16424926

  

  Popular Name: N-[(1R)-1-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]propyl]-3,5-dimethoxy-N-phenethyl-benzamide N-[(1R)-1-[3-(4-ethylphenyl)-4-o…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL602979

  • ChEMBL19

    • CHEMBL602979

  • ChemDB

    • 5877962

  • Collaborative Drug Discovery

    • 1008532

  • PubChem

    • 4272266

  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)	6.62	17.71	-15.49	0	7	0	74	575.709	11	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49767760
• 49767762
  

  Analogs

  16424730

  

  16424731

  

  16424926

  

  Popular Name: N-[(1S)-1-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]propyl]-3,5-dimethoxy-N-phenethyl-benzamide N-[(1S)-1-[3-(4-ethylphenyl)-4-o…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL602979

  • ChEMBL19

    • CHEMBL602979

  • ChemDB

    • 5877962

  • Collaborative Drug Discovery

    • 1008532

  • PubChem

    • 4272266

  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)	6.62	17.77	-15.74	0	7	0	74	575.709	11	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49767762