User Information

• Synonyms (0)
• Vendors (0)
• Annotations (2)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (6)

ZINC32122747

• 32122747

Physical Representations

Activity (Go SEA)

• 32199881
  

  Analogs

  32199884

  

  32199910

  

  32199914

  

  22054872

  

  Popular Name: 1-[(1S)-3-chloro-1-(p-tolyl)propoxy]-2-ethoxy-benzene 1-[(1S)-3-chloro-1-(p-tolyl)prop…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 39434015

  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)	4.89	11.05	-7.24	0	2	0	18	304.817	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32199881
• 32199884
  

  Analogs

  32199910

  

  32199914

  

  22054872

  

  Popular Name: 1-[(1R)-3-chloro-1-(p-tolyl)propoxy]-2-ethoxy-benzene 1-[(1R)-3-chloro-1-(p-tolyl)prop…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 39434018

  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)	4.89	11.04	-7.22	0	2	0	18	304.817	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32199884
• 32199910
  

  Analogs

  32199914

  

  22054872

  

  Popular Name: 1-[(1R)-3-chloro-1-(2-methoxyphenoxy)propyl]-4-ethyl-benzene 1-[(1R)-3-chloro-1-(2-methoxyphe…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 39434042

  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)	4.98	10.93	-7.09	0	2	0	18	304.817	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32199910
• 32199914
  

  Analogs

  22054872

  

  Popular Name: 1-[(1S)-3-chloro-1-(2-methoxyphenoxy)propyl]-4-ethyl-benzene 1-[(1S)-3-chloro-1-(2-methoxyphe…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 39434046

  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)	4.98	10.89	-7.09	0	2	0	18	304.817	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32199914
• 22054872
  

  Analogs

  22054876

  

  32102699

  

  32102700

  

  32111526

  

  32111527

  

  Popular Name: (R)-3-Chloro-1-phenyl-1-(2-methylphenoxy)propane (R)-3-Chloro-1-phenyl-1-(2-methy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • American Custom Chemicals Corp.

    • CCH0006598

  • Toronto Research Chemicals

    • C379560
    • C379564
    • C379562

  • Tractus

    • TRA0010689

  And 9 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)	4.85	10.29	-4.39	0	1	0	9	260.764	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC22054872
• 22054876
  

  Analogs

  32102699

  

  32102700

  

  32111526

  

  32111527

  

  32111529

  

  Popular Name: (R)-3-Chloro-1-phenyl-1-(2-methylphenoxy)propane (R)-3-Chloro-1-phenyl-1-(2-methy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Toronto Research Chemicals

    • C379563
    • C379564

  • Tractus

    • TRA0010689
    • TRA0010688

  • IBM Patent Data

    • 136231291

  And 5 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)	4.85	10.31	-4.4	0	1	0	9	260.764	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC22054876