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• Synonyms (0)
• Vendors (3)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (10)

ZINC25840846

• 25840846

Physical Representations

Activity (Go SEA)

• 32915032
  

  Analogs

  25438122

  

  25438043

  

  Popular Name: N-[4-[(S)-cyano(phenyl)methyl]phenyl]-2-methyl-propanamide N-[4-[(S)-cyano(phenyl)methyl]ph…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 27424862

  • Enamine

    • Z384481528

  • Mcule

    • MCULE-7586179812

  • ZereneX

    • ZX-AV-EM014560

  • PubChem

    • 42959795

  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)	3.59	9.16	-17.03	1	3	0	53	278.355	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32915032
• 32915034
  

  Analogs

  25438122

  

  25438043

  

  Popular Name: N-[4-[(R)-cyano(phenyl)methyl]phenyl]-2-methyl-propanamide N-[4-[(R)-cyano(phenyl)methyl]ph…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 27424862

  • Enamine

    • Z384481528

  • Mcule

    • MCULE-7586179812

  • ZereneX

    • ZX-AV-EM014560

  • PubChem

    • 42959795

  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)	3.59	9.16	-12.57	1	3	0	53	278.355	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32915034
• 37007907
  

  Analogs

  13017588

  

  25840846

  

  Popular Name: 3-amino-N-[4-(1-cyano-1-methyl-ethyl)phenyl]propanamide 3-amino-N-[4-(1-cyano-1-methyl-e…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43699720

  • Enamine BB Make on Demand

    • BBV-27173242

  • UORSY BB Make-on-demand

    • BBV-27173242

  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)	1.13	3.49	-53.91	4	4	1	81	232.307	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37007907
• 37007913
  

  Analogs

  5751907

  

  Popular Name: (2R)-2-amino-N-[4-(1-cyano-1-methyl-ethyl)phenyl]propanamide (2R)-2-amino-N-[4-(1-cyano-1-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 54991336
    • 43699724

  • Enamine BB Make on Demand

    • BBV-33208748
    • BBV-27173246

  • UORSY BB Make-on-demand

    • BBV-27173246

  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)	1.26	3.54	-49.05	4	4	1	81	232.307	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.26	3.15	-11.56	3	4	0	79	231.299	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37007913
• 12971317
  

  Analogs

  25438043

  

  25438122

  

  25840846

  

  37030967

  

  12873881

  

  Popular Name: N-[4-(cyanomethyl)phenyl]-2,2-dimethyl-propanamide N-[4-(cyanomethyl)phenyl]-2,2-di…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK498817

  • eMolecules

    • 19188970

  • ChemBridge

    • 9196740

  • Mcule

    • MCULE-9723942583

  • Princeton BioMolecular Research

    • OSSL_157843

  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)	2.78	6.6	-12.95	1	3	0	53	216.284	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC12971317
• 13017588
  

  Analogs

  25438043

  

  25438122

  

  25840846

  

  37007830

  

  37007839

  

  Popular Name: N-[4-(cyanomethyl)phenyl]propanamide N-[4-(cyanomethyl)phenyl]propana…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 25673876

  • Enamine BB Make on Demand

    • BBV-39136039

  • UORSY BB Make-on-demand

    • BBV-39136039

  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)	1.96	5.38	-13.5	1	3	0	53	188.23	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC13017588
• 1016944
  

  Analogs

  25438043

  

  25840846

  

  44809853

  

  44809855

  

  Popular Name:

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Specs

    • AO-548/09692007

  • Vitas-M

    • STK401390

  • eMolecules

    • 3962642

  • Molport

    • MolPort-001-019-943

  • Alinda

    • IVK/8097487

  And 15 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)	3.75	1.32	-7.72	1	2	0	29	205.301	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01016944
• 1045814
  

  Analogs

  25438043

  

  25840846

  

  44809853

  

  44809855

  

  Popular Name: N-(4-tert-butylphenyl)-2,2-dimethylpropanamide N-(4-tert-butylphenyl)-2,2-dimet…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Specs

    • AC-082/25006731

  • eMolecules

    • 5840650

  • Molport

    • MolPort-002-917-926

  • Chembo Pharma

    • KB-119094

  • Maybridge

    • S06749

  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)	4.53	2.15	-7.56	1	2	0	29	233.355	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01045814
• 25439844
  

  Analogs

  25840846

  

  37007881

  

  37007894

  

  37007895

  

  37007920

  

  Popular Name: (2S)-N-[4-(1-cyano-1-methyl-ethyl)phenyl]-2-methyl-butanamide (2S)-N-[4-(1-cyano-1-methyl-ethy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 27403764

  • Enamine

    • Z343761300

  • Mcule

    • MCULE-3683326397

  • Collaborative Drug Discovery

    • 1301631

  • PubChem

    • 42953850

  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)	3.68	7.46	-14.14	1	3	0	53	244.338	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC25439844
• 25439841
  

  Analogs

  25439844

  

  25840846

  

  37007881

  

  37007894

  

  37007895

  

  Popular Name: (2R)-N-[4-(1-cyano-1-methyl-ethyl)phenyl]-2-methyl-butanamide (2R)-N-[4-(1-cyano-1-methyl-ethy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 27403764

  • Enamine

    • Z343761300

  • Mcule

    • MCULE-3683326397

  • Collaborative Drug Discovery

    • 1301631

  • PubChem

    • 42953850

  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)	3.68	7.46	-14.19	1	3	0	53	244.338	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC25439841