User Information

• Synonyms (0)
• Vendors (9)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (5)

ZINC12820640

• 12820640

Physical Representations

Activity (Go SEA)

• 21794861
  

  Analogs

  3880930

  

  Popular Name: 3-[(2-methylpentyl)amino]benzonitrile 3-[(2-methylpentyl)amino]benzoni…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Enamine Building Blocks

    • EN300-165370

  • PubChem

    • 43108338
    • 29772963

  • Enamine BB Make on Demand

    • BBR-053721

  • UORSY BB Make-on-demand

    • BBR-053721

  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)	3.71	7.38	-4.7	1	2	0	36	202.301	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21794861
• 21794865
  

  Analogs

  3880930

  

  Popular Name: 3-[(2-methylpentyl)amino]benzonitrile 3-[(2-methylpentyl)amino]benzoni…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Enamine Building Blocks

    • EN300-165370

  • PubChem

    • 43108338
    • 29772966

  • Enamine BB Make on Demand

    • BBR-053721

  • UORSY BB Make-on-demand

    • BBR-053721

  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)	3.71	7.38	-4.71	1	2	0	36	202.301	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21794865
• 44810886
  

  Analogs

  44292410

  

  Popular Name: (2R)-2-cyano-N-(3-cyanophenyl)pentanamide (2R)-2-cyano-N-(3-cyanophenyl)pe…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61845593

  • Enamine BB Make on Demand

    • BBV-33551412

  • UORSY BB Make-on-demand

    • BBV-33551412

  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)	2.44	6.3	-14.12	1	4	0	77	227.267	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC44810886
• 12820637
  

  Analogs

  12820640

  

  21794861

  

  21794865

  

  44810886

  

  3221963

  

  Popular Name: (2R)-N-(3-cyanophenyl)-2-methyl-pentanamide (2R)-N-(3-cyanophenyl)-2-methyl-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 16814281

  • Molport

    • MolPort-006-017-881

  • Enamine

    • Z26548464

  • Mcule

    • MCULE-6483554534

  • UORSY Make-on-demand

    • PB26625932

  And 6 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)	3.03	6.65	-12.38	1	3	0	53	216.284	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC12820637
• 3221963
  

  Analogs

  12820637

  

  12820640

  

  21794861

  

  21794865

  

  44810886

  

  Popular Name: N-(3-cyanophenyl)cyclobutanecarboxamide N-(3-cyanophenyl)cyclobutanecarb…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-004-008-668

  • Aldrich CPR

    • T323640|ALDRICH

  • Chembo Pharma

    • KB-118210

  • Enamine

    • Z26548198

  • Enamine Building Blocks

    • EN300-31421

  And 8 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)	1.89	5.87	-12.25	1	3	0	53	200.241	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC03221963