User Information

• Synonyms (5)
• Vendors (18)
• Annotations (3)
• Representations (1)
• Notes (4)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (12)

ZINC00153394

• 153394

Physical Representations

Vendor Notes

Activity (Go SEA)

• 5853034
  

  Analogs

  21802404

  

  21802407

  

  21802409

  

  21802412

  

  34354531

  

  Popular Name: methyl 4-hydroxy-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylate methyl 4-hydroxy-1-[(4-methylphe…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 45755441

  • Molport

    • MolPort-028-835-740

  • Enamine

    • Z57012335

  • Key Organics Building Blocks

    • 9G-953

  • KeyOrganics

    • 9G-953

  And 8 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)	1.04	2	-15.96	1	6	0	84	299.348	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC05853034
• 21802404
  

  Analogs

  153394

  

  Popular Name: (2S,4R)-1-(4-cyanophenyl)sulfonyl-4-methoxy-pyrrolidine-2-carboxylic (2S,4R)-1-(4-cyanophenyl)sulfony…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43108926
    • 29779377

  • Enamine BB Make on Demand

    • BBR-055405

  • UORSY BB Make-on-demand

    • BBR-055405

  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)	-1.11	3.46	-57.13	0	7	-1	111	309.323	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21802404
• 21802407
  

  Analogs

  153394

  

  Popular Name: (2S,4S)-1-(4-cyanophenyl)sulfonyl-4-methoxy-pyrrolidine-2-carboxylic (2S,4S)-1-(4-cyanophenyl)sulfony…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 29779380
    • 43108926

  • Enamine BB Make on Demand

    • BBR-055405

  • UORSY BB Make-on-demand

    • BBR-055405

  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)	-1.11	2.45	-44.78	0	7	-1	111	309.323	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21802407
• 21802409
  

  Analogs

  153394

  

  Popular Name: (2R,4R)-1-(4-cyanophenyl)sulfonyl-4-methoxy-pyrrolidine-2-carboxylic (2R,4R)-1-(4-cyanophenyl)sulfony…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 29779383
    • 43108926

  • Enamine BB Make on Demand

    • BBR-055405

  • UORSY BB Make-on-demand

    • BBR-055405

  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)	-1.11	3.47	-59.15	0	7	-1	111	309.323	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21802409
• 21802412
  

  Analogs

  153394

  

  Popular Name: (2R,4S)-1-(4-cyanophenyl)sulfonyl-4-methoxy-pyrrolidine-2-carboxylic (2R,4S)-1-(4-cyanophenyl)sulfony…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 29779386
    • 43108926

  • Enamine BB Make on Demand

    • BBR-055405

  • UORSY BB Make-on-demand

    • BBR-055405

  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)	-1.11	3.5	-54.76	0	7	-1	111	309.323	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21802412
• 34354531
  

  Analogs

  153394

  

  Popular Name: ethyl ethyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • IBM Patent Data

    • 136038977

  • PubChem

    • 14741867

  • SureChEMBL

    • SCHEMBL7070248

  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)	1.41	2.91	-17.38	1	6	0	84	313.375	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34354531
• 34354534
  

  Analogs

  153394

  

  Popular Name: ethyl ethyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • IBM Patent Data

    • 136038977

  • PubChem

    • 14741867
    • 18714259

  • SureChEMBL

    • SCHEMBL7070247
    • SCHEMBL7070248

  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)	1.41	2.91	-16.19	1	6	0	84	313.375	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34354534
• 34548658
  

  Analogs

  153394

  

  Popular Name: methyl methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 15386104

  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)	2.70	5.07	-11.22	1	6	0	84	375.446	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34548658
• 34957453
  

  Analogs

  34957454

  

  34957455

  

  34957456

  

  40834174

  

  13028262

  

  Popular Name: (2R,4R)-1-(2-bromophenyl)sulfonyl-4-methoxy-pyrrolidine-2-carboxylic (2R,4R)-1-(2-bromophenyl)sulfony…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm BB Make on Demand

    • BBV-00048087

  • PubChem

    • 43123720

  • UORSY BB Make-on-demand

    • BBV-237295

  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)	-0.11	3.45	-47.11	0	6	-1	87	363.209	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34957453
• 34957454
  

  Analogs

  34957455

  

  34957456

  

  40834174

  

  13028262

  

  Popular Name: (2R,4S)-1-(2-bromophenyl)sulfonyl-4-methoxy-pyrrolidine-2-carboxylic (2R,4S)-1-(2-bromophenyl)sulfony…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm BB Make on Demand

    • BBV-00048087

  • PubChem

    • 43123720

  • UORSY BB Make-on-demand

    • BBV-237295

  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)	-0.11	3.44	-49.02	0	6	-1	87	363.209	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34957454
• 34957455
  

  Analogs

  34957456

  

  40834174

  

  13028262

  

  Popular Name: (2S,4R)-1-(2-bromophenyl)sulfonyl-4-methoxy-pyrrolidine-2-carboxylic (2S,4R)-1-(2-bromophenyl)sulfony…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm BB Make on Demand

    • BBV-00048087

  • PubChem

    • 43123720

  • UORSY BB Make-on-demand

    • BBV-237295

  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)	-0.11	4.39	-56.01	0	6	-1	87	363.209	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34957455
• 34957456
  

  Analogs

  40834174

  

  13028262

  

  Popular Name: (2S,4S)-1-(2-bromophenyl)sulfonyl-4-methoxy-pyrrolidine-2-carboxylic (2S,4S)-1-(2-bromophenyl)sulfony…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm BB Make on Demand

    • BBV-00048087

  • PubChem

    • 43123720

  • UORSY BB Make-on-demand

    • BBV-237295

  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)	-0.11	4.39	-60.08	0	6	-1	87	363.209	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34957456