User Information

• Synonyms (0)
• Vendors (2)
• Annotations (2)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (10)

ZINC34976634

• 34976634

Physical Representations

Activity (Go SEA)

• 34976635
  

  Analogs

  1505548

  

  Popular Name: 2-[(1R,2R,4S)-norbornan-2-yl]-1-phenyl-ethanone 2-[(1R,2R,4S)-norbornan-2-yl]-1-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43160377
    • 69030848

  • SureChEMBL

    • SCHEMBL13863075
    • SCHEMBL4405579

  • Enamine BB Make on Demand

    • BBV-5118577

  And 1 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)	3.65	9.29	-6.49	0	1	0	17	214.308	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34976635
• 1505548
  

  Analogs

  34562972

  

  34586970

  

  34976634

  

  34976635

  

  34976668

  

  Popular Name: BRD-K66365857-001-01-5 BRD-K66365857-001-01-5

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 6168003

  • Molport

    • MolPort-003-716-887

  • ChemDiv

    • 1520-0013

  • ChemDB

    • 5625809

  • PubChem

    • 5238842

  And 1 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)	3.76	10.29	-5.53	0	1	0	17	242.362	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01505548
• 1697870
  

  Analogs

  34586970

  

  34976600

  

  34976634

  

  34976635

  

  34976807

  

  Popular Name: 3-cyclopentyl-1-phenyl-propan-1-one 3-cyclopentyl-1-phenyl-propan-1-one

  Find On: PubMed — Wikipedia — Google

  Vendors

  • NCI Plated 2007

    • 173057

  • ChemDB

    • 5178175

  • PubChem

    • 299752

  • Enamine BB Make on Demand

    • BBV-5118554

  • UORSY BB Make-on-demand

    • BBV-5118554

  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)	3.78	1.77	-6.21	0	1	0	17	202.297	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01697870
• 3845924
  

  Analogs

  34976634

  

  34976635

  

  42174426

  

  42174429

  

  42174446

  

  Popular Name: phenyl-(1,2,2,3-tetramethylcyclopentyl)-methanone phenyl-(1,2,2,3-tetramethylcyclo…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • MolMall (formerly Molecular Diversity Preservation International)

    • 12408

  • ChemDB

    • 5571237

  • PubChem

    • 2750594
    • 7054002

  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)	4.38	2.88	-6.6	0	1	0	17	230.351	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC03845924
• 1724987
  

  Analogs

  5190058

  

  34976634

  

  34976635

  

  42174426

  

  42174429

  

  Popular Name: [(8S)-8-bicyclo[2.2.2]octanyl]-phenyl-methanone [(8S)-8-bicyclo[2.2.2]octanyl]-p…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 5180792

  • PubChem

    • 301182

  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)	3.83	1.47	-5.91	0	1	0	17	214.308	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01724987
• 5190058
  

  Analogs

  34976634

  

  34976635

  

  42174426

  

  42174429

  

  42174446

  

  Popular Name: 8-bicyclo[2.2.2]octyl-phenyl-methanone 8-bicyclo[2.2.2]octyl-phenyl-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 5180792

  • PubChem

    • 301182

  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)	3.83	1.47	-5.9	0	1	0	17	214.308	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC05190058
• 3845927
  

  Analogs

  34976634

  

  34976635

  

  42174426

  

  42174429

  

  42174446

  

  Popular Name: phenyl-(1,2,2,3-tetramethylcyclopentyl)-methanone phenyl-(1,2,2,3-tetramethylcyclo…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • MolMall (formerly Molecular Diversity Preservation International)

    • 12408

  • ChemDB

    • 5571237

  • PubChem

    • 2750594
    • 7054005

  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)	4.38	2.76	-5.63	0	1	0	17	230.351	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC03845927
• 3845926
  

  Analogs

  34976634

  

  34976635

  

  42174426

  

  42174429

  

  42174446

  

  Popular Name: phenyl-(1,2,2,3-tetramethylcyclopentyl)-methanone phenyl-(1,2,2,3-tetramethylcyclo…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • MolMall (formerly Molecular Diversity Preservation International)

    • 12408

  • ChemDB

    • 5571237

  • PubChem

    • 2750594
    • 7054004

  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)	4.38	2.92	-5.29	0	1	0	17	230.351	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC03845926
• 3845925
  

  Analogs

  34976634

  

  34976635

  

  42174426

  

  42174429

  

  42174446

  

  Popular Name: phenyl-(1,2,2,3-tetramethylcyclopentyl)-methanone phenyl-(1,2,2,3-tetramethylcyclo…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • MolMall (formerly Molecular Diversity Preservation International)

    • 12408

  • ChemDB

    • 5571237

  • PubChem

    • 2750594
    • 7054003

  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)	4.38	2.9	-6.93	0	1	0	17	230.351	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC03845925
• 4662023
  

  Analogs

  34976634

  

  34976635

  

  34976668

  

  Popular Name: 2-(3-phenacyl-1-adamantyl)-1-phenyl-ethanone 2-(3-phenacyl-1-adamantyl)-1-phe…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 5639152

  • PubChem

    • 3396990

  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)	5.60	2.53	-11.85	0	2	0	34	372.508	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04662023