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

ZINC37807974

• 37807974

Physical Representations

Activity (Go SEA)

• 40498630
  

  Analogs

  37807937

  

  Popular Name: N-[(3-cyanophenyl)methyl]-N,3-dimethyl-butanamide N-[(3-cyanophenyl)methyl]-N,3-di…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 30011120

  • Molport

    • MolPort-009-178-274

  • Enamine

    • Z338999716

  • Mcule

    • MCULE-2433513156

  • PubChem

    • 45809971

  And 4 More

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  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)	2.45	8.18	-8.27	0	3	0	44	230.311	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC40498630
• 40498631
  

  Analogs

  37807937

  

  Popular Name: N-[(3-cyanophenyl)methyl]-N,3,3-trimethyl-butanamide N-[(3-cyanophenyl)methyl]-N,3,3-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 30011122

  • Molport

    • MolPort-009-178-283

  • Enamine

    • Z339000212

  • Mcule

    • MCULE-4851750236

  • PubChem

    • 45809972

  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)	2.77	8.7	-7.46	0	3	0	44	244.338	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC40498631
• 40498633
  

  Analogs

  37807928

  

  37807937

  

  Popular Name: (2R)-N-[(3-cyanophenyl)methyl]-N,2-dimethyl-butanamide (2R)-N-[(3-cyanophenyl)methyl]-N…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 30011126

  • Molport

    • MolPort-009-178-307

  • Enamine

    • Z339006726

  • Mcule

    • MCULE-5410182402

  • Enamine-REAL

    • Z339006726

  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)	2.42	7.82	-8.91	0	3	0	44	230.311	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC40498633
• 40498634
  

  Analogs

  37807928

  

  37807937

  

  Popular Name: (2S)-N-[(3-cyanophenyl)methyl]-N,2-dimethyl-butanamide (2S)-N-[(3-cyanophenyl)methyl]-N…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 30011126

  • Molport

    • MolPort-009-178-307

  • Enamine

    • Z339006726

  • Mcule

    • MCULE-5410182402

  • Enamine-REAL

    • Z339006726

  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)	2.42	7.92	-8.75	0	3	0	44	230.311	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC40498634
• 44909020
  

  Analogs

  37807940

  

  37807946

  

  Popular Name: N-[(3-cyanophenyl)methyl]-N,4-dimethyl-pentanamide N-[(3-cyanophenyl)methyl]-N,4-di…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 30201829

  • Molport

    • MolPort-009-178-309

  • Enamine

    • Z339007516

  • Mcule

    • MCULE-5469527930

  • Enamine-REAL

    • Z339007516

  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)	2.72	8.87	-8.79	0	3	0	44	244.338	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC44909020
• 45213304
  

  Analogs

  37790660

  

  37807956

  

  Popular Name: N-[(3-cyanophenyl)methyl]butanamide N-[(3-cyanophenyl)methyl]butanamide

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 47161651

  • Enamine BB Make on Demand

    • BBV-39273457

  • UORSY BB Make-on-demand

    • BBV-39273457

  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)	1.99	5.47	-10.3	1	3	0	53	202.257	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45213304
• 45244159
  

  Analogs

  37807973

  

  37807974

  

  Popular Name: N-[(3-cyanophenyl)methyl]-N-methyl-cyclopropanecarboxamide N-[(3-cyanophenyl)methyl]-N-meth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-010-093-673

  • Enamine

    • Z338999670

  • PubChem

    • 52214092

  • Ambinter

    • Amb19342701

  • Enamine BB Make on Demand

    • BBV-39273588

  And 1 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)	1.66	7.54	-13.33	0	3	0	44	214.268	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45244159
• 19484473
  

  Analogs

  37807956

  

  37807972

  

  37807973

  

  37807974

  

  37807987

  

  Popular Name: 3-[(2-oxopyrrolidin-1-yl)methyl]benzonitrile 3-[(2-oxopyrrolidin-1-yl)methyl]…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Enamine Building Blocks

    • EN300-76528

  • Molport BB

    • MolPort-004-341-865

  • Ryan Scientific BB

    • 000-52074

  • PubChem

    • 24701923

  • SureChEMBL

    • SCHEMBL7424115

  And 3 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)	1.20	6.66	-14.08	0	3	0	44	200.241	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19484473