User Information

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

ZINC42462394

• 42462394

Physical Representations

Activity (Go SEA)

• 42903927
  

  Analogs

  42462392

  

  42462394

  

  Popular Name: 4-[[[(2R)-2-cyanopropyl]-methyl-carbamoyl]amino]benzamide 4-[[[(2R)-2-cyanopropyl]-methyl-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 47238514

  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)	1.04	2.78	-19.9	3	6	0	99	260.297	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42903927
• 42249199
  

  Analogs

  42449159

  

  42449161

  

  42449163

  

  42449165

  

  42449175

  

  Popular Name: 1-[(2S)-2-cyanopropyl]-1-methyl-3-(p-tolyl)urea 1-[(2S)-2-cyanopropyl]-1-methyl-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 47278944

  • Enamine BB Make on Demand

    • BBV-33158534

  • UORSY BB Make-on-demand

    • BBV-33158534

  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)	2.67	6.63	-12.05	1	4	0	56	231.299	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42249199
• 42249194
  

  Analogs

  42249199

  

  42449159

  

  42449161

  

  42449163

  

  42449165

  

  Popular Name: 1-[(2R)-2-cyanopropyl]-1-methyl-3-(p-tolyl)urea 1-[(2R)-2-cyanopropyl]-1-methyl-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 47278944

  • Enamine BB Make on Demand

    • BBV-33158534

  • UORSY BB Make-on-demand

    • BBV-33158534

  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)	2.67	6.91	-12.86	1	4	0	56	231.299	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42249194
• 41639891
  

  Analogs

  41703189

  

  41703591

  

  41703595

  

  41703664

  

  42449159

  

  Popular Name: 3-(4-acetylphenyl)-1-[(2S)-2-cyanopropyl]-1-methyl-urea 3-(4-acetylphenyl)-1-[(2S)-2-cya…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 47235696

  • Enamine BB Make on Demand

    • BBV-32714126

  • UORSY BB Make-on-demand

    • BBV-32714126

  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)	2.12	6.66	-15.48	1	5	0	73	259.309	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC41639891
• 41639893
  

  Analogs

  41703189

  

  41703591

  

  41703595

  

  41703664

  

  41710343

  

  Popular Name: 3-(4-acetylphenyl)-1-[(2R)-2-cyanopropyl]-1-methyl-urea 3-(4-acetylphenyl)-1-[(2R)-2-cya…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 47235696

  • Enamine BB Make on Demand

    • BBV-32714126

  • UORSY BB Make-on-demand

    • BBV-32714126

  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)	2.12	6.37	-14.76	1	5	0	73	259.309	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC41639893
• 42249463
  

  Analogs

  42449159

  

  42449161

  

  42449163

  

  42449165

  

  42449175

  

  Popular Name: 1-[(2S)-2-cyanopropyl]-1-ethyl-3-(p-tolyl)urea 1-[(2S)-2-cyanopropyl]-1-ethyl-3…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 47279041

  • Enamine BB Make on Demand

    • BBV-33158570

  • UORSY BB Make-on-demand

    • BBV-33158570

  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)	3.05	7.87	-12.38	1	4	0	56	245.326	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42249463
• 42249458
  

  Analogs

  42249463

  

  42449159

  

  42449161

  

  42449163

  

  42449165

  

  Popular Name: 1-[(2R)-2-cyanopropyl]-1-ethyl-3-(p-tolyl)urea 1-[(2R)-2-cyanopropyl]-1-ethyl-3…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 47279041

  • Enamine BB Make on Demand

    • BBV-33158570

  • UORSY BB Make-on-demand

    • BBV-33158570

  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)	3.05	7.62	-11.69	1	4	0	56	245.326	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42249458
• 41703647
  

  Analogs

  41703664

  

  42449159

  

  42449161

  

  42449163

  

  42449165

  

  Popular Name: 3-(4-acetylphenyl)-1-[(2S)-2-cyanopropyl]-1-ethyl-urea 3-(4-acetylphenyl)-1-[(2S)-2-cya…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 47364332

  • Enamine BB Make on Demand

    • BBV-32721676

  • UORSY BB Make-on-demand

    • BBV-32721676

  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)	2.50	7.62	-15.03	1	5	0	73	273.336	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC41703647
• 41703645
  

  Analogs

  41703647

  

  41703664

  

  42449159

  

  42449161

  

  42449163

  

  Popular Name: 3-(4-acetylphenyl)-1-[(2R)-2-cyanopropyl]-1-ethyl-urea 3-(4-acetylphenyl)-1-[(2R)-2-cya…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 47364332

  • Enamine BB Make on Demand

    • BBV-32721676

  • UORSY BB Make-on-demand

    • BBV-32721676

  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)	2.50	7.36	-14.32	1	5	0	73	273.336	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC41703645