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

ZINC39226112

• 39226112

Physical Representations

Activity (Go SEA)

• 49597433
  

  Analogs

  39226042

  

  39226043

  

  39226054

  

  Popular Name: 6-chloro-1'-[(4-fluorophenyl)methyl]spiro[chromane-2,4'-piperidine]-4-one 6-chloro-1'-[(4-fluorophenyl)met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 52325659

  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)	4.31	11.38	-52.49	1	3	1	31	360.836	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49597433
• 4505514
  

  Analogs

  39225931

  

  39225936

  

  39225937

  

  39225940

  

  39225952

  

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

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 5569450

  • Molport

    • MolPort-003-134-049

  • Life Chemicals

    • F2548-0051

  • Mcule

    • MCULE-6973550570

  • Otava (Virtual)

    • 8854485

  And 6 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)	3.31	9.51	-13.63	0	4	0	47	355.821	1	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04505514
• 4505528
  

  Analogs

  39225931

  

  39225937

  

  39225940

  

  39225952

  

  39225982

  

  Popular Name: (5-chloro-2-methoxy-benzoyl)BLAHone (5-chloro-2-methoxy-benzoyl)BLAHone

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 5569472

  • Molport

    • MolPort-003-134-060

  • Otava (Virtual)

    • 8854517

  • ChEMBL12

    • CHEMBL1364897

  • ChEMBL19

    • CHEMBL1364897

  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)	3.86	9.13	-13.99	0	5	0	56	385.847	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04505528
• 4505525
  

  Analogs

  39225937

  

  39225940

  

  39225982

  

  39225996

  

  39226042

  

  Popular Name: (2,5-dichlorobenzoyl)BLAHone (2,5-dichlorobenzoyl)BLAHone

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 29276068

  • Molport

    • MolPort-003-134-057

  • Life Chemicals

    • F2548-0059

  • Mcule

    • MCULE-7074197886

  • Otava (Virtual)

    • 8828925

  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)	3.94	0.1	-10.29	0	4	0	46	390.266	1	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04505525
• 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
• 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
• 4505496
  

  Analogs

  4505499

  

  4505500

  

  4505501

  

  39225934

  

  39225938

  

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

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Otava (Virtual)

    • 1437373

  • ChemDB

    • 7741668

  • PubChem

    • 7260518

  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)	2.71	0.41	-13.44	0	5	0	55	351.402	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04505496
• 4505499
  

  Analogs

  4505500

  

  4505501

  

  39225934

  

  39225938

  

  39225939

  

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

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 5569422

  • Molport

    • MolPort-003-134-035

  • Life Chemicals

    • F2548-0036

  • Mcule

    • MCULE-1436454692

  • Otava (Virtual)

    • 1437374

  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)	3.09	0.43	-13.26	0	5	0	55	365.429	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04505499
• 4505500
  

  Analogs

  4505501

  

  39225934

  

  39225938

  

  39225939

  

  39225948

  

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

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Life Chemicals

    • F2548-0037

  • ChemDB

    • 7741671

  • PubChem

    • 7260523

  • Ambinter

    • Amb5242370

  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)	3.45	0.7	-11.15	0	5	0	55	379.456	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04505500