User Information

• Synonyms (3)
• Vendors (11)
• Annotations (2)
• Representations (1)
• Notes (1)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (17)

ZINC19507427

• 19507427

Physical Representations

Vendor Notes

Activity (Go SEA)

• 34674880
  

  Analogs

  34674986

  

  1716013

  

  Popular Name: 2-(3-benzyloxypropoxy)benzonitrile 2-(3-benzyloxypropoxy)benzonitrile

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  Vendors

  • PubChem

    • 43289288

  • Enamine BB Make on Demand

    • BBV-15806839

  • UORSY BB Make-on-demand

    • BBV-15806839

  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)	3.55	9.03	-11.57	0	3	0	42	267.328	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34674880
• 34674997
  

  Analogs

  1716013

  

  Popular Name: 2-[3-(2-methoxyphenoxy)propoxy]benzonitrile 2-[3-(2-methoxyphenoxy)propoxy]b…

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  Vendors

  • PubChem

    • 43289404

  • Enamine BB Make on Demand

    • BBV-15806970

  • UORSY BB Make-on-demand

    • BBV-15806970

  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)	3.27	8.46	-14.53	0	4	0	51	283.327	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34674997
• 34675019
  

  Analogs

  1716013

  

  Popular Name: 2-[3-(2-ethoxyethoxy)propoxy]benzonitrile 2-[3-(2-ethoxyethoxy)propoxy]ben…

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  Vendors

  • PubChem

    • 43289425

  • Enamine BB Make on Demand

    • BBV-15806995

  • UORSY BB Make-on-demand

    • BBV-15806995

  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)	2.13	6.21	-12.21	0	4	0	51	249.31	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34675019
• 34675049
  

  Analogs

  1716013

  

  Popular Name: 2-(3-isopentyloxypropoxy)benzonitrile 2-(3-isopentyloxypropoxy)benzoni…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43289455

  • Enamine BB Make on Demand

    • BBV-15807025

  • UORSY BB Make-on-demand

    • BBV-15807025

  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)	3.61	8.08	-9.74	0	3	0	42	247.338	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34675049
• 34675150
  

  Analogs

  1716013

  

  Popular Name: 2-[3-(2-methoxyethoxy)propoxy]benzonitrile 2-[3-(2-methoxyethoxy)propoxy]be…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43289502

  • Enamine BB Make on Demand

    • BBV-15807072

  • UORSY BB Make-on-demand

    • BBV-15807072

  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)	1.75	5.25	-12.21	0	4	0	51	235.283	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34675150
• 34675159
  

  Analogs

  38271604

  

  19507427

  

  Popular Name: 2-(3-isobutoxypropoxy)benzonitrile 2-(3-isobutoxypropoxy)benzonitrile

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43289511

  • Enamine BB Make on Demand

    • BBV-15807081

  • UORSY BB Make-on-demand

    • BBV-15807081

  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	7.48	-9.72	0	3	0	42	233.311	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34675159
• 36984860
  

  Analogs

  19507427

  

  Popular Name: 2-[(2R)-2-cyanopropoxy]benzonitrile 2-[(2R)-2-cyanopropoxy]benzonitrile

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43093137

  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)	2.23	6.3	-9.6	0	3	0	57	186.214	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36984860
• 36984861
  

  Analogs

  19507427

  

  Popular Name: 2-[(2S)-2-cyanopropoxy]benzonitrile 2-[(2S)-2-cyanopropoxy]benzonitrile

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43093137

  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)	2.23	6.3	-9.6	0	3	0	57	186.214	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36984861
• 37138474
  

  Analogs

  43475656

  

  1716013

  

  Popular Name: 2-[3-(3-ethylphenoxy)propoxy]benzonitrile 2-[3-(3-ethylphenoxy)propoxy]ben…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43289596

  • Enamine BB Make on Demand

    • BBV-15807167

  • UORSY BB Make-on-demand

    • BBV-15807167

  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)	4.54	10	-11.43	0	3	0	42	281.355	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37138474
• 37138529
  

  Analogs

  163493

  

  Popular Name: 2-[3-(cyclopropylmethoxy)propoxy]benzonitrile 2-[3-(cyclopropylmethoxy)propoxy…

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  Vendors

  • PubChem

    • 43289623

  • Enamine BB Make on Demand

    • BBV-15807196

  • UORSY BB Make-on-demand

    • BBV-15807196

  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)	2.83	7.57	-10.09	0	3	0	42	231.295	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37138529
• 37138715
  

  Analogs

  1716013

  

  Popular Name: 2-(3-tert-butoxypropoxy)benzonitrile 2-(3-tert-butoxypropoxy)benzonit…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43289700

  • Enamine BB Make on Demand

    • BBV-15807275

  • UORSY BB Make-on-demand

    • BBV-15807275

  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)	3.14	7.12	-9.87	0	3	0	42	233.311	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37138715
• 37138768
  

  Analogs

  1716013

  

  Popular Name: 2-(3-isohexyloxypropoxy)benzonitrile 2-(3-isohexyloxypropoxy)benzonit…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43289718

  • Enamine BB Make on Demand

    • BBV-15807293

  • UORSY BB Make-on-demand

    • BBV-15807293

  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)	3.88	8.85	-9.73	0	3	0	42	261.365	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37138768
• 37138786
  

  Analogs

  12370464

  

  Popular Name: 2-[3-(1,1-dimethylpropoxy)propoxy]benzonitrile 2-[3-(1,1-dimethylpropoxy)propox…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43289727

  • Enamine BB Make on Demand

    • BBV-15807302

  • UORSY BB Make-on-demand

    • BBV-15807302

  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)	3.64	7.8	-9.73	0	3	0	42	247.338	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37138786
• 37138935
  

  Analogs

  1716013

  

  Popular Name: 2-(3-prop-2-ynoxypropoxy)benzonitrile 2-(3-prop-2-ynoxypropoxy)benzoni…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43289788

  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)	2.12	6.53	-12.39	0	3	0	42	215.252	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37138935
• 37138961
  

  Analogs

  1716013

  

  Popular Name: 2-(3-allyloxypropoxy)benzonitrile 2-(3-allyloxypropoxy)benzonitrile

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43289802

  • Enamine BB Make on Demand

    • BBV-15807379

  • UORSY BB Make-on-demand

    • BBV-15807379

  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)	2.60	6.56	-10.23	0	3	0	42	217.268	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37138961
• 37139208
  

  Analogs

  1716013

  

  Popular Name: 2-(3-pentoxypropoxy)benzonitrile 2-(3-pentoxypropoxy)benzonitrile

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43289899

  • Enamine BB Make on Demand

    • BBV-15807482

  • UORSY BB Make-on-demand

    • BBV-15807482

  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)	3.90	8.35	-9.75	0	3	0	42	247.338	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37139208
• 37143695
  

  Analogs

  2842525

  

  2562434

  

  Popular Name: 2-(3-ethylsulfanylpropoxy)benzonitrile 2-(3-ethylsulfanylpropoxy)benzon…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43290068

  • UORSY BB Make-on-demand

    • BBV-15807651

  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)	2.87	8.06	-9.94	0	2	0	33	221.325	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37143695