User Information

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

ZINC06405400

• 6405400

Physical Representations

Activity (Go SEA)

• 8699074
  

  Analogs

  32123018

  

  32150057

  

  32150083

  

  32201964

  

  6145628

  

  Popular Name: 1-(4-Methoxy-benzyl)-pyrrolidine-2-carboxylic acid 1-(4-Methoxy-benzyl)-pyrrolidine…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-002-678-879

  • Asinex

    • BAS10145714

  • Asinex Building Blocks

    • BAS10145714

  • Chembo Pharma

    • KB-307210

  • Matrix Scientific

    • 033442

  And 12 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)	-0.02	6.61	-38.22	1	4	0	54	235.283	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC08699074
• 41689596
  

  Analogs

  41689599

  

  43431654

  

  43431656

  

  43431810

  

  43431812

  

  Popular Name: (2S)-2-[(4-methoxyphenyl)methylamino]-4-methyl-pentanoic (2S)-2-[(4-methoxyphenyl)methyla…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport BB

    • MolPort-008-430-815

  • PubChem

    • 52169953
    • 61666309

  • Enamine BB Make on Demand

    • BBV-33333013

  • UORSY BB Make-on-demand

    • BBV-33333013

  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)	0.98	7.17	-33.06	2	4	0	66	251.326	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC41689596
• 41689599
  

  Analogs

  43431654

  

  43431656

  

  43431810

  

  43431812

  

  43432076

  

  Popular Name: (2R)-2-[(4-methoxyphenyl)methylamino]-4-methyl-pentanoic (2R)-2-[(4-methoxyphenyl)methyla…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport BB

    • MolPort-008-430-815

  • PubChem

    • 52169955
    • 61666309

  • Enamine BB Make on Demand

    • BBV-33333013

  • UORSY BB Make-on-demand

    • BBV-33333013

  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)	0.98	7.23	-32.79	2	4	0	66	251.326	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC41689599
• 3747840
  

  Analogs

  6145628

  

  6260442

  

  6267501

  

  6380977

  

  6405394

  

  Popular Name: 1-(4-Methoxy-benzyl)-pyrrolidine-2-carboxylic acid 1-(4-Methoxy-benzyl)-pyrrolidine…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-002-678-879

  • Asinex

    • BAS10145714

  • Asinex Building Blocks

    • BAS10145714

  • Chembo Pharma

    • KB-307210

  • Matrix Scientific

    • 033442

  And 12 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)	-0.02	6.25	-42.14	1	4	0	54	235.283	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC03747840
• 3754739
  

  Analogs

  6405394

  

  6405400

  

  6934061

  

  6934415

  

  32123018

  

  Popular Name: 1-(4-Methoxy-benzyl)-piperidine-2-carboxylic acid 1-(4-Methoxy-benzyl)-piperidine-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • AK Scientific

    • 9611AE

  • Asinex

    • BAS10145709

  • Asinex Building Blocks

    • BAS10145709

  • Chembo Pharma

    • KB-307209

  • Matrix Scientific

    • 033440

  And 13 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)	0.48	6.81	-42.07	1	4	0	54	249.31	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC03754739
• 3754741
  

  Analogs

  6405394

  

  6405400

  

  6934061

  

  6934415

  

  32123018

  

  Popular Name: 1-(4-Methoxy-benzyl)-piperidine-2-carboxylic acid 1-(4-Methoxy-benzyl)-piperidine-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • AK Scientific

    • 9611AE

  • Asinex

    • BAS10145709

  • Asinex Building Blocks

    • BAS10145709

  • Chembo Pharma

    • KB-307209

  • Matrix Scientific

    • 033440

  And 13 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)	0.48	7.18	-34.79	1	4	0	54	249.31	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC03754741
• 1754532
  

  Analogs

  3880916

  

  6322906

  

  6322908

  

  6405394

  

  6405400

  

  Popular Name: 1-benzylazetidine-2-carboxylic acid 1-benzylazetidine-2-carboxylic acid

  Find On: PubMed — Wikipedia — Google

  Vendors

  • AK Scientific

    • 9483AA

  • Aldrich CPR

    • CDS017779|ALDRICH

  • Ark Pharm Building Blocks

    • AK114076

  • BePharm Building Blocks

    • B13191

  • Bide Pharmatech BB

    • BD13191

  And 20 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)	-0.35	6.82	-39.67	1	3	0	45	191.23	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01754532
• 3880916
  

  Analogs

  6322906

  

  6322908

  

  6405394

  

  6405400

  

  6426666

  

  Popular Name: 1-benzylazetidine-2-carboxylic acid 1-benzylazetidine-2-carboxylic acid

  Find On: PubMed — Wikipedia — Google

  Vendors

  • AK Scientific

    • 9483AA

  • Aldrich CPR

    • CDS017779|ALDRICH

  • Ark Pharm Building Blocks

    • AK114076

  • BePharm Building Blocks

    • B13191

  • Bide Pharmatech BB

    • BD13191

  And 21 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)	-0.35	6.7	-44	1	3	0	45	191.23	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC03880916
• 3589116
  

  Analogs

  6405394

  

  6405400

  

  Popular Name: (2S)-1-[(1-hydroxy-2-naphthyl)methyl]azetidin-1-ium-2-carboxylate (2S)-1-[(1-hydroxy-2-naphthyl)me…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 4931367

  • PubChem

    • 382952

  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)	0.54	-0.86	-46.81	2	4	0	64	257.289	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC03589116