User Information

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

ZINC37813903

• 37813903

Physical Representations

Activity (Go SEA)

• 20294894
  

  Analogs

  37799442

  

  37799443

  

  37799444

  

  37799445

  

  37813903

  

  Popular Name: (2R)-1-[(3S)-3-amino-3-phenyl-propanoyl]pyrrolidine-2-carboxamide (2R)-1-[(3S)-3-amino-3-phenyl-pr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43212179
    • 28823303

  • Enamine BB Make on Demand

    • BBV-194999

  • UORSY BB Make-on-demand

    • BBV-194999

  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)	-1.27	2.57	-40.81	5	5	1	91	262.333	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	-1.27	2.27	-15.58	4	5	0	89	261.325	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20294894
• 20294897
  

  Analogs

  37799442

  

  37799443

  

  37799444

  

  37799445

  

  37813903

  

  Popular Name: (2R)-1-[(3R)-3-amino-3-phenyl-propanoyl]pyrrolidine-2-carboxamide (2R)-1-[(3R)-3-amino-3-phenyl-pr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43212179
    • 28823306

  • Enamine BB Make on Demand

    • BBV-194999

  • UORSY BB Make-on-demand

    • BBV-194999

  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)	-1.27	2.76	-46.93	5	5	1	91	262.333	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	-1.27	2.43	-17.7	4	5	0	89	261.325	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20294897
• 20294900
  

  Analogs

  37799442

  

  37799443

  

  37799444

  

  37799445

  

  37813903

  

  Popular Name: (2S)-1-[(3S)-3-amino-3-phenyl-propanoyl]pyrrolidine-2-carboxamide (2S)-1-[(3S)-3-amino-3-phenyl-pr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43212179
    • 28823309

  • Enamine BB Make on Demand

    • BBV-194999

  • UORSY BB Make-on-demand

    • BBV-194999

  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)	-1.27	2.73	-46.71	5	5	1	91	262.333	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	-1.27	2.44	-15.15	4	5	0	89	261.325	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20294900
• 20294903
  

  Analogs

  37799442

  

  37799443

  

  37799444

  

  37799445

  

  37813903

  

  Popular Name: (2S)-1-[(3R)-3-amino-3-phenyl-propanoyl]pyrrolidine-2-carboxamide (2S)-1-[(3R)-3-amino-3-phenyl-pr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43212179
    • 28823312

  • Enamine BB Make on Demand

    • BBV-194999

  • UORSY BB Make-on-demand

    • BBV-194999

  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)	-1.27	2.53	-40.7	5	5	1	91	262.333	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	-1.27	2.2	-15.94	4	5	0	89	261.325	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20294903
• 36134820
  

  Analogs

  37813903

  

  37813904

  

  44807337

  

  44807339

  

  Popular Name: (3S)-3-amino-N-(2-amino-2-oxo-ethyl)-N-isopropyl-3-phenyl-propanamide (3S)-3-amino-N-(2-amino-2-oxo-et…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43579134

  • Enamine BB Make on Demand

    • BBV-25206832

  • UORSY BB Make-on-demand

    • BBV-25206832

  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)	-1.55	2.3	-45.3	5	5	1	91	264.349	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	-1.55	2.01	-12.46	4	5	0	89	263.341	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36134820
• 36134821
  

  Analogs

  37813903

  

  37813904

  

  44807337

  

  44807339

  

  Popular Name: (3R)-3-amino-N-(2-amino-2-oxo-ethyl)-N-isopropyl-3-phenyl-propanamide (3R)-3-amino-N-(2-amino-2-oxo-et…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43579134

  • Enamine BB Make on Demand

    • BBV-25206832

  • UORSY BB Make-on-demand

    • BBV-25206832

  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)	-1.55	2.31	-39.26	5	5	1	91	264.349	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	-1.55	1.99	-10.95	4	5	0	89	263.341	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36134821
• 36136325
  

  Analogs

  37810805

  

  37810806

  

  37810807

  

  37810808

  

  37813903

  

  Popular Name: (2S)-1-[(3S)-3-amino-3-phenyl-propanoyl]-N,N-dimethyl-pyrrolidine-2-carboxamide (2S)-1-[(3S)-3-amino-3-phenyl-pr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43579496

  • Enamine BB Make on Demand

    • BBV-25207205

  • UORSY BB Make-on-demand

    • BBV-25207205

  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)	-1.65	5.81	-44.98	3	5	1	68	290.387	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	-1.65	5.49	-16.69	2	5	0	67	289.379	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36136325
• 36136327
  

  Analogs

  37810805

  

  37810806

  

  37810807

  

  37810808

  

  37813903

  

  Popular Name: (2R)-1-[(3S)-3-amino-3-phenyl-propanoyl]-N,N-dimethyl-pyrrolidine-2-carboxamide (2R)-1-[(3S)-3-amino-3-phenyl-pr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43579496

  • Enamine BB Make on Demand

    • BBV-25207205

  • UORSY BB Make-on-demand

    • BBV-25207205

  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)	-1.65	5.14	-39.7	3	5	1	68	290.387	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	-1.65	4.81	-14.33	2	5	0	67	289.379	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36136327
• 36136329
  

  Analogs

  37810805

  

  37810806

  

  37810807

  

  37810808

  

  37813903

  

  Popular Name: (2S)-1-[(3R)-3-amino-3-phenyl-propanoyl]-N,N-dimethyl-pyrrolidine-2-carboxamide (2S)-1-[(3R)-3-amino-3-phenyl-pr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43579496

  • Enamine BB Make on Demand

    • BBV-25207205

  • UORSY BB Make-on-demand

    • BBV-25207205

  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)	-1.65	5.81	-38.94	3	5	1	68	290.387	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	-1.65	5.49	-17.17	2	5	0	67	289.379	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36136329