User Information

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

ZINC37805250

• 37805250

Physical Representations

Activity (Go SEA)

• 19677257
  

  Analogs

  37805213

  

  37805214

  

  37805240

  

  37805241

  

  37805249

  

  Popular Name: (2S,3R)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methyl-pentan-1-one (2S,3R)-2-amino-1-[4-(cyclopropa…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 28270166
    • 54870163
    • 61174265

  • Enamine BB Make on Demand

    • BBV-32514624
    • BBV-32153939

  And 2 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)	0.23	4.04	-55.45	3	5	1	68	268.381	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.23	3.76	-12.31	2	5	0	67	267.373	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19677257
• 19677259
  

  Analogs

  37805213

  

  37805214

  

  37805240

  

  37805241

  

  37805249

  

  Popular Name: (2S,3S)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methyl-pentan-1-one (2S,3S)-2-amino-1-[4-(cyclopropa…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 28270168
    • 54870163
    • 61174265

  • Enamine BB Make on Demand

    • BBV-32514624
    • BBV-32153939

  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)	0.23	3.99	-56.57	3	5	1	68	268.381	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.23	3.72	-12.74	2	5	0	67	267.373	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19677259
• 19677315
  

  Analogs

  37805213

  

  37805214

  

  37805242

  

  37805249

  

  37805250

  

  Popular Name: (2S)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methyl-pentan-1-one (2S)-2-amino-1-[4-(cyclopropanec…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 28270237
    • 54870164

  • Enamine BB Make on Demand

    • BBV-32504183
    • BBV-32153941

  • UORSY BB Make-on-demand

    • BBV-32153941

  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)	0.26	4.06	-55.53	3	5	1	68	268.381	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.26	3.78	-12.5	2	5	0	67	267.373	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19677315
• 19677253
  

  Analogs

  37805187

  

  37805188

  

  37805195

  

  37805196

  

  37805205

  

  Popular Name: (2S,3R)-2-amino-3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]pentan-1-one (2S,3R)-2-amino-3-methyl-1-[4-(2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 28270162
    • 54870069
    • 61174264

  • Enamine BB Make on Demand

    • BBV-32514623
    • BBV-32153897

  And 2 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)	0.49	3.83	-55.49	3	5	1	68	270.397	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.49	3.54	-12.04	2	5	0	67	269.389	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19677253
• 19677255
  

  Analogs

  37805187

  

  37805188

  

  37805195

  

  37805196

  

  37805205

  

  Popular Name: (2S,3S)-2-amino-3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]pentan-1-one (2S,3S)-2-amino-3-methyl-1-[4-(2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 28270164
    • 54870069
    • 61174264

  • Enamine BB Make on Demand

    • BBV-32514623
    • BBV-32153897

  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)	0.49	3.76	-56.17	3	5	1	68	270.397	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.49	3.47	-12.39	2	5	0	67	269.389	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19677255
• 19677276
  

  Analogs

  37805187

  

  37805188

  

  37805195

  

  37805196

  

  37805205

  

  Popular Name: (2S,3R)-2-amino-1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-3-methyl-pentan-1-one (2S,3R)-2-amino-1-[4-(2,2-dimeth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 28270187

  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)	1.07	3.99	-50.51	3	5	1	68	284.424	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.07	3.71	-8.68	2	5	0	67	283.416	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19677276
• 19677278
  

  Analogs

  37805187

  

  37805188

  

  37805195

  

  37805196

  

  37805205

  

  Popular Name: (2S,3S)-2-amino-1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-3-methyl-pentan-1-one (2S,3S)-2-amino-1-[4-(2,2-dimeth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 28270190

  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)	1.07	3.9	-51.63	3	5	1	68	284.424	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.07	3.62	-9.1	2	5	0	67	283.416	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19677278
• 19677280
  

  Analogs

  37805187

  

  37805188

  

  37805195

  

  37805196

  

  37805213

  

  Popular Name: (2S,3R)-2-amino-1-[4-(2-ethylbutanoyl)piperazin-1-yl]-3-methyl-pentan-1-one (2S,3R)-2-amino-1-[4-(2-ethylbut…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 28270193

  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	5.16	-55.38	3	5	1	68	298.451	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.49	4.87	-11.65	2	5	0	67	297.443	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19677280
• 19677281
  

  Analogs

  37805187

  

  37805188

  

  37805195

  

  37805196

  

  37805205

  

  Popular Name: (2S,3S)-2-amino-1-[4-(2-ethylbutanoyl)piperazin-1-yl]-3-methyl-pentan-1-one (2S,3S)-2-amino-1-[4-(2-ethylbut…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 28270195

  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	4.93	-56.24	3	5	1	68	298.451	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.49	4.64	-12.3	2	5	0	67	297.443	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19677281