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• Synonyms (0)
• Vendors (8)
• Annotations (2)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (13)

ZINC03227295

• 3227295

Physical Representations

Activity (Go SEA)

• 36677104
  

  Analogs

  3227295

  

  Popular Name: (2R)-3-(2,6-dimethoxyphenoxy)-2-methyl-propanenitrile (2R)-3-(2,6-dimethoxyphenoxy)-2-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43367412

  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)	2.15	5.7	-8.62	0	4	0	51	221.256	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36677104
• 36677105
  

  Analogs

  3227295

  

  Popular Name: (2S)-3-(2,6-dimethoxyphenoxy)-2-methyl-propanenitrile (2S)-3-(2,6-dimethoxyphenoxy)-2-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43367412

  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)	2.15	5.69	-8.61	0	4	0	51	221.256	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36677105
• 36677726
  

  Analogs

  2685694

  

  Popular Name: (3S)-3-(2-ethoxyphenoxy)pentanenitrile (3S)-3-(2-ethoxyphenoxy)pentanen…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43367707

  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)	2.31	7.24	-12.02	0	3	0	42	219.284	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36677726
• 36677727
  

  Analogs

  2685694

  

  Popular Name: (3R)-3-(2-ethoxyphenoxy)pentanenitrile (3R)-3-(2-ethoxyphenoxy)pentanen…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43367707

  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)	2.31	7.25	-12.11	0	3	0	42	219.284	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36677727
• 36677950
  

  Analogs

  2685694

  

  Popular Name: (3S)-3-(2-methoxyphenoxy)pentanenitrile (3S)-3-(2-methoxyphenoxy)pentane…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43367814

  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)	1.93	6.32	-12.15	0	3	0	42	205.257	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36677950
• 36677951
  

  Analogs

  2685694

  

  Popular Name: (3R)-3-(2-methoxyphenoxy)pentanenitrile (3R)-3-(2-methoxyphenoxy)pentane…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43367814

  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)	1.93	6.33	-12.17	0	3	0	42	205.257	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36677951
• 36986627
  

  Analogs

  2685694

  

  Popular Name: (2S)-3-(2-ethoxyphenoxy)-2-methyl-propanenitrile (2S)-3-(2-ethoxyphenoxy)-2-methy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43174869

  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)	2.52	6.68	-7.17	0	3	0	42	205.257	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36986627
• 36986628
  

  Analogs

  2685694

  

  Popular Name: (2R)-3-(2-ethoxyphenoxy)-2-methyl-propanenitrile (2R)-3-(2-ethoxyphenoxy)-2-methy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43174869

  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)	2.52	6.68	-7.16	0	3	0	42	205.257	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36986628
• 36986637
  

  Analogs

  2685694

  

  Popular Name: (2R)-3-(2-methoxyphenoxy)-2-methyl-propanenitrile (2R)-3-(2-methoxyphenoxy)-2-meth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43174874

  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)	2.14	5.76	-7.37	0	3	0	42	191.23	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36986637
• 36986638
  

  Analogs

  2685694

  

  Popular Name: (2S)-3-(2-methoxyphenoxy)-2-methyl-propanenitrile (2S)-3-(2-methoxyphenoxy)-2-meth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43174874

  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)	2.14	5.76	-7.37	0	3	0	42	191.23	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36986638
• 36986651
  

  Analogs

  2685694

  

  Popular Name: (2S)-2-methyl-3-(2-propoxyphenoxy)propanenitrile (2S)-2-methyl-3-(2-propoxyphenox…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43174880

  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)	3.02	7.48	-6.91	0	3	0	42	219.284	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36986651
• 36986652
  

  Analogs

  2685694

  

  Popular Name: (2R)-2-methyl-3-(2-propoxyphenoxy)propanenitrile (2R)-2-methyl-3-(2-propoxyphenox…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43174880

  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)	3.02	7.48	-6.9	0	3	0	42	219.284	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36986652
• 36986982
  

  Analogs

  2685694

  

  Popular Name: (3S)-3-(2-propoxyphenoxy)pentanenitrile (3S)-3-(2-propoxyphenoxy)pentane…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43175042

  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)	2.81	8.05	-11.93	0	3	0	42	233.311	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36986982