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

ZINC39227424

• 39227424

Physical Representations

Activity (Go SEA)

• 5222371
  

  Analogs

  39225976

  

  39226060

  

  39226061

  

  39226062

  

  39226063

  

  Popular Name: (3,4-dimethylbenzoyl)BLAHone (3,4-dimethylbenzoyl)BLAHone

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 31211370

  • Molport

    • MolPort-003-373-330

  • Life Chemicals

    • F2548-0030

  • Mcule

    • MCULE-9357490586

  • Otava (Virtual)

    • 8828972

  And 4 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)	3.48	0.98	-11.19	0	4	0	46	349.43	1	↓ MOL2 SDF SMILES Flexibase

  More about ZINC05222371
• 4505490
  

  Analogs

  4505492

  

  39225976

  

  39226060

  

  39226061

  

  39226062

  

  Popular Name: (3-methylbenzoyl)BLAHone (3-methylbenzoyl)BLAHone

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Otava (Virtual)

    • 8828939

  • ChemDB

    • 7741662

  • PubChem

    • 7260512

  • Ambinter

    • Amb1258629

  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)	3.08	0.7	-12.8	0	4	0	46	335.403	1	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04505490
• 4505492
  

  Analogs

  39225976

  

  39226060

  

  39226061

  

  39226062

  

  39226063

  

  Popular Name: (3,5-dimethylbenzoyl)BLAHone (3,5-dimethylbenzoyl)BLAHone

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 7741664

  • PubChem

    • 7260514

  • Ambinter

    • Amb1258630

  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)	3.48	1.02	-12.48	0	4	0	46	349.43	1	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04505492
• 4505587
  

  Analogs

  39225942

  

  39225980

  

  39226073

  

  39226075

  

  39226076

  

  Popular Name: (4-phenylbenzoyl)BLAHone (4-phenylbenzoyl)BLAHone

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 5569502

  • Molport

    • MolPort-003-134-075

  • Life Chemicals

    • F2548-0077

  • Mcule

    • MCULE-1223034264

  • Otava (Virtual)

    • 1260385

  And 4 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)	4.45	0.94	-11.84	0	4	0	46	397.474	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04505587