User Information

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

ZINC43477633

• 43477633

Physical Representations

Activity (Go SEA)

• 43488503
  

  Analogs

  43477633

  

  Popular Name: 3-chloro-4-[(2-chloro-6-fluoro-phenyl)methoxy]benzaldehyde 3-chloro-4-[(2-chloro-6-fluoro-p…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61682117

  • SureChEMBL

    • SCHEMBL6234719

  • Enamine BB Make on Demand

    • BBV-33350187

  • UORSY BB Make-on-demand

    • BBV-33350187

  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)	4.73	8.53	-11.39	0	2	0	26	299.128	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43488503
• 11822257
  

  Analogs

  43477465

  

  43477633

  

  43478281

  

  Popular Name: [4-[(2-chloro-6-fluoro-phenyl)methoxy]phenyl]methanamine [4-[(2-chloro-6-fluoro-phenyl)me…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 22685516
    • 42199720

  • Enamine BB Make on Demand

    • BBV-32923436

  • UORSY BB Make-on-demand

    • BBV-32923436

  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)	3.52	-1.11	-47.64	3	2	1	37	266.723	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC11822257
• 42297923
  

  Analogs

  43477633

  

  6473791

  

  Popular Name: 3-chloro-4-[(2-chloro-6-fluoro-phenyl)methoxy]benzonitrile 3-chloro-4-[(2-chloro-6-fluoro-p…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 52175829

  • Enamine BB Make on Demand

    • BBV-32829785

  • UORSY BB Make-on-demand

    • BBV-32829785

  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)	4.70	9.19	-7.64	0	2	0	33	296.128	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42297923
• 19777218
  

  Analogs

  32107342

  

  32114291

  

  36888397

  

  43477633

  

  43478281

  

  Popular Name: 1-[4-[(2-chloro-6-fluoro-phenyl)methoxy]phenyl]-N-methyl-methanamine 1-[4-[(2-chloro-6-fluoro-phenyl)…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 28339092

  • AKOS (make-on-demand)

    • AKOS002638140

  • Enamine BB Make on Demand

    • BBV-32839350

  • UORSY BB Make-on-demand

    • BBV-32839350

  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)	3.89	8.15	-42.86	2	2	1	26	280.75	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19777218
• 11862079
  

  Analogs

  43477633

  

  Popular Name: [3-chloro-4-[(2-chloro-6-fluoro-phenyl)methoxy]-5-methoxy-phenyl]methanamine [3-chloro-4-[(2-chloro-6-fluoro-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 20989925
    • 42230795

  • Enamine BB Make on Demand

    • BBV-33061219

  • UORSY BB Make-on-demand

    • BBV-33061219

  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)	3.91	-0.8	-55.37	3	3	1	46	331.194	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC11862079
• 35657407
  

  Analogs

  43477633

  

  Popular Name: 3,5-dichloro-4-[(2-chloro-6-fluoro-phenyl)methoxy]benzaldehyde 3,5-dichloro-4-[(2-chloro-6-fluo…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 7151113

  • PubChem

    • 4767126

  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)	5.34	9.16	-9.6	0	2	0	26	333.573	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35657407
• 11955387
  

  Analogs

  43477633

  

  Popular Name: [3-chloro-4-[(2-chloro-6-fluoro-phenyl)methoxy]-5-ethoxy-phenyl]methanamine [3-chloro-4-[(2-chloro-6-fluoro-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 20985374
    • 42308750

  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)	4.29	-0.79	-55.49	3	3	1	46	345.221	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC11955387
• 461797
  

  Analogs

  43477325

  

  43477467

  

  43477577

  

  43477633

  

  43477665

  

  Popular Name: [3-chloro-4-(2-fluorobenzyl)oxy-phenyl]methanol [3-chloro-4-(2-fluorobenzyl)oxy-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-002-090-082

  • ChemBridge

    • 7309597

  • Mcule

    • MCULE-8482713564

  • Princeton BioMolecular Research

    • OSSL_844885

  • ChemDB

    • 4439093

  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)	3.65	-0.43	-6.67	1	2	0	29	266.699	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00461797
• 33448299
  

  Analogs

  36888399

  

  43477633

  

  43478281

  

  564454

  

  Popular Name: N-[[4-[(2-chloro-6-fluoro-phenyl)methoxy]phenyl]methyl]ethanamine N-[[4-[(2-chloro-6-fluoro-phenyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 51663832
    • 49931666

  • AKOS (make-on-demand)

    • AKOS002638141

  • Enamine BB Make on Demand

    • BBV-32839347

  • UORSY BB Make-on-demand

    • BBV-32839347

  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)	4.27	8.99	-42.11	2	2	1	26	294.777	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC33448299