User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (9)

ZINC44813210

• 44813210

Physical Representations

Activity (Go SEA)

• 48151205
  

  Analogs

  44808683

  

  44808684

  

  Popular Name: N-(2-cyanoethyl)-N-isobutyl-3-methyl-butanamide N-(2-cyanoethyl)-N-isobutyl-3-me…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60654533

  • Enamine BB Make on Demand

    • BBV-33122726

  • UORSY BB Make-on-demand

    • BBV-38082473

  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)	1.90	7.48	-10.37	0	3	0	44	210.321	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC48151205
• 42295995
  

  Analogs

  42460392

  

  42460394

  

  42460657

  

  42460659

  

  44808683

  

  Popular Name: N-[(2S)-2-cyanopropyl]-N-ethyl-3-methyl-butanamide N-[(2S)-2-cyanopropyl]-N-ethyl-3…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61381162

  • Enamine BB Make on Demand

    • BBV-33171422
    • BBV-38114697

  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)	2.22	6.65	-10.29	0	3	0	44	196.294	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42295995
• 42460659
  

  Analogs

  44808683

  

  44808684

  

  44809042

  

  44809043

  

  44813210

  

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

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61577892

  • Enamine BB Make on Demand

    • BBV-33205705

  • UORSY BB Make-on-demand

    • BBV-38115160

  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)	1.85	5.76	-10.67	0	3	0	44	182.267	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42460659
• 42460657
  

  Analogs

  42460659

  

  44808683

  

  44808684

  

  44808802

  

  44808803

  

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

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61577892

  • Enamine BB Make on Demand

    • BBV-33205705

  • UORSY BB Make-on-demand

    • BBV-38115160

  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)	1.85	5.75	-9.63	0	3	0	44	182.267	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42460657
• 42295990
  

  Analogs

  42460392

  

  42460394

  

  42460657

  

  42460659

  

  44808683

  

  Popular Name: N-[(2R)-2-cyanopropyl]-N-ethyl-3-methyl-butanamide N-[(2R)-2-cyanopropyl]-N-ethyl-3…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61381162

  • Enamine BB Make on Demand

    • BBV-33171422
    • BBV-38114697

  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)	2.22	6.66	-9.23	0	3	0	44	196.294	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42295990
• 7076585
  

  Analogs

  19833606

  

  19833608

  

  37821099

  

  37821102

  

  37822648

  

  Popular Name: N,N-bis(2-cyanoethyl)-2-methyl-butanamide N,N-bis(2-cyanoethyl)-2-methyl-b…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Scientific Exchange (make on demand)

    • M-374224

  • ChemDB

    • 6924281

  • PubChem

    • 4627836

  • SureChEMBL

    • SCHEMBL10033571

  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)	0.20	6.43	-16.54	0	4	0	68	207.277	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC07076585
• 7070029
  

  Analogs

  7076585

  

  19833606

  

  19833608

  

  37821099

  

  37821102

  

  Popular Name: N,N-bis(2-cyanoethyl)-2-methyl-butanamide N,N-bis(2-cyanoethyl)-2-methyl-b…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Scientific Exchange (make on demand)

    • M-374224

  • ChemDB

    • 6924281

  • PubChem

    • 4627836

  • SureChEMBL

    • SCHEMBL10033571

  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)	0.20	6.29	-16.38	0	4	0	68	207.277	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC07070029
• 19833608
  

  Analogs

  37821099

  

  37821102

  

  37822648

  

  37822649

  

  37823377

  

  Popular Name: (2S)-N-(2-cyanoethyl)-N,2-dimethyl-butanamide (2S)-N-(2-cyanoethyl)-N,2-dimeth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43186184
    • 28386623

  • Enamine BB Make on Demand

    • BBV-100807

  • UORSY BB Make-on-demand

    • BBV-100807

  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)	0.75	4.98	-11.86	0	3	0	44	168.24	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19833608
• 6349010
  

  Analogs

  7070029

  

  7076585

  

  15015270

  

  37821099

  

  37821102

  

  Popular Name: N,N-bis(2-cyanoethyl)-2,2-dimethyl-butanamide N,N-bis(2-cyanoethyl)-2,2-dimeth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Scientific Exchange (make on demand)

    • M-374210

  • ChemDB

    • 6924269

  • PubChem

    • 4627826

  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)	0.62	6.3	-16.13	0	4	0	68	221.304	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC06349010