User Information

• Synonyms (1)
• Vendors (2)
• Annotations (2)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (7)

ZINC00391299

• 391299

Physical Representations

Activity (Go SEA)

• 4530493
  

  Analogs

  6501967

  

  6501968

  

  34541505

  

  34541507

  

  39122478

  

  Popular Name: (2-benzoylcyclobutyl)-phenyl-methanone (2-benzoylcyclobutyl)-phenyl-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Aldrich CPR

    • S57607|ALDRICH

  • TimTec

    • ST50444706

  • ChemDB

    • 6663544

  • PubChem

    • 4220016

  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)	3.75	2.27	-9	0	2	0	34	264.324	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04530493
• 6501967
  

  Analogs

  18154547

  

  391297

  

  391299

  

  Popular Name: [2-(4-methylbenzoyl)cyclobutyl]-(p-tolyl)methanone [2-(4-methylbenzoyl)cyclobutyl]-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Aldrich CPR

    • L161268|ALDRICH

  • TimTec

    • ST51224376

  • ChemDB

    • 6623704

  • PubChem

    • 4463513

  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)	4.65	12.93	-17.03	0	2	0	34	292.378	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC06501967
• 6501968
  

  Analogs

  18154547

  

  391297

  

  391299

  

  Popular Name: [2-(4-methylbenzoyl)cyclobutyl]-(p-tolyl)methanone [2-(4-methylbenzoyl)cyclobutyl]-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Aldrich CPR

    • L161268|ALDRICH

  • TimTec

    • ST51224376

  • ChemDB

    • 6623704

  • PubChem

    • 4463513

  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)	4.65	2.91	-8.5	0	2	0	34	292.378	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC06501968
• 34541505
  

  Analogs

  5413648

  

  Popular Name: (3R)-3-benzoylcyclohexanone (3R)-3-benzoylcyclohexanone

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 10867378

  • SureChEMBL

    • SCHEMBL15658130

  • Enamine BB Make on Demand

    • BBV-42272384

  • UORSY BB Make-on-demand

    • BBV-42272384

  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)	2.18	7.31	-7.43	0	2	0	34	202.253	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34541505
• 34541507
  

  Analogs

  5413648

  

  Popular Name: (3S)-3-benzoylcyclohexanone (3S)-3-benzoylcyclohexanone

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 10867378

  • SureChEMBL

    • SCHEMBL15658130

  • Enamine BB Make on Demand

    • BBV-42272384

  • UORSY BB Make-on-demand

    • BBV-42272384

  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)	2.18	7.31	-7.33	0	2	0	34	202.253	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34541507
• 39122478
  

  Analogs

  391297

  

  391299

  

  Popular Name: (2S)-2-methyl-1,4-diphenyl-butane-1,4-dione (2S)-2-methyl-1,4-diphenyl-butan…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • IBM Patent Data

    • 136098718

  • PubChem

    • 10634576

  • SureChEMBL

    • SCHEMBL11070861

  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)	3.62	9.9	-7.18	0	2	0	34	252.313	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39122478
• 39122479
  

  Analogs

  391297

  

  391299

  

  Popular Name: (2R)-2-methyl-1,4-diphenyl-butane-1,4-dione (2R)-2-methyl-1,4-diphenyl-butan…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • IBM Patent Data

    • 136098718

  • PubChem

    • 10634576

  • SureChEMBL

    • SCHEMBL11070861

  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)	3.62	9.89	-7.12	0	2	0	34	252.313	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39122479