User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (3)
• Analogs (5)

ZINC37096668

• 37096668

Physical Representations

Activity (Go SEA)

• 46591512
  

  Analogs

  36786557

  

  36786558

  

  Popular Name: 3-acetamido-N-(5-acetamido-2-methyl-phenyl)propanamide 3-acetamido-N-(5-acetamido-2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 47208599

  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)	0.13	2.3	-22.44	3	6	0	87	277.324	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC46591512
• 48904178
  

  Analogs

  36788509

  

  37080443

  

  Popular Name: 3-acetamido-N-(3-acetamido-4-methyl-phenyl)propanamide 3-acetamido-N-(3-acetamido-4-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 47226585

  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)	0.13	2.31	-21.63	3	6	0	87	277.324	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC48904178
• 29127436
  

  Analogs

  36786557

  

  36786558

  

  36788509

  

  37078167

  

  37079483

  

  Popular Name: 3-(diethylamino)-N-(2,4-dimethylphenyl)propanamide 3-(diethylamino)-N-(2,4-dimethyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Otava (Virtual)

    • 9196035

  • ChEMBL12

    • CHEMBL255393

  • ChEMBL19

    • CHEMBL255393

  • PubChem

    • 44454414

  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)	2.99	8.39	-42.6	2	3	1	34	249.378	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC29127436
• 37079994
  

  Analogs

  37080391

  

  37080437

  

  37080443

  

  37081112

  

  37082249

  

  Popular Name: N-(2-cyanophenyl)-3-[cyclopropyl(ethyl)amino]propanamide N-(2-cyanophenyl)-3-[cyclopropyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43264184

  • Enamine BB Make on Demand

    • BBV-14867699

  • UORSY BB Make-on-demand

    • BBV-14867699

  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)	1.87	7.95	-38.15	2	4	1	57	258.345	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37079994
• 37081112
  

  Analogs

  37082249

  

  37096155

  

  37096629

  

  37096662

  

  37096668

  

  Popular Name: N-(2-cyanophenyl)-3-[cyclopropyl(methyl)amino]propanamide N-(2-cyanophenyl)-3-[cyclopropyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43264958

  • Enamine BB Make on Demand

    • BBV-14868496

  • UORSY BB Make-on-demand

    • BBV-14868496

  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)	1.49	7.32	-39.38	2	4	1	57	244.318	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37081112