User Information

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

ZINC40189037

• 40189037

Physical Representations

Activity (Go SEA)

• 21524494
  

  Analogs

  21787421

  

  21787425

  

  21787440

  

  21787444

  

  39916988

  

  Popular Name: 1-[(2R)-2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone 1-[(2R)-2-[1-[4-(2,4-dimethylphe…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 17442194

  • Molport

    • MolPort-007-699-928

  • Innovapharm

    • STT-00389467

  • Mcule

    • MCULE-8227758479

  • TimTec Make-on-Demand

    • ST51155986

  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)	4.40	13.12	-17.13	0	5	0	47	405.542	7	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	4.40	13.51	-32.01	1	5	1	49	406.55	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21524494
• 21524497
  

  Analogs

  21787421

  

  21787425

  

  21787440

  

  21787444

  

  39916992

  

  Popular Name: 1-[(2S)-2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone 1-[(2S)-2-[1-[4-(2,4-dimethylphe…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 17442194

  • Molport

    • MolPort-007-699-928

  • Innovapharm

    • STT-00389467

  • Mcule

    • MCULE-8227758479

  • TimTec Make-on-Demand

    • ST51155986

  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)	4.40	13.1	-17.36	0	5	0	47	405.542	7	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	4.40	13.5	-32.71	1	5	1	49	406.55	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21524497
• 21786986
  

  Analogs

  21787421

  

  21787425

  

  21787440

  

  21787444

  

  39917263

  

  Popular Name: 1-[(2S)-2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one 1-[(2S)-2-[1-[4-(2-methylphenoxy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 27065652

  • Molport

    • MolPort-007-699-892

  • Mcule

    • MCULE-2300670788

  • PubChem

    • 46264713

  • Ambinter

    • Amb20290882

  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)	4.82	13.23	-16.72	0	5	0	47	405.542	8	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	4.82	13.7	-32.53	1	5	1	49	406.55	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21786986
• 21786980
  

  Analogs

  21786986

  

  21787421

  

  21787425

  

  21787440

  

  21787444

  

  Popular Name: 1-[(2R)-2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one 1-[(2R)-2-[1-[4-(2-methylphenoxy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 27065652

  • Molport

    • MolPort-007-699-892

  • Mcule

    • MCULE-2300670788

  • PubChem

    • 46264713

  • Ambinter

    • Amb20290882

  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)	4.82	13.25	-16.49	0	5	0	47	405.542	8	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	4.82	13.75	-31.73	1	5	1	49	406.55	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21786980
• 21787425
  

  Analogs

  21787440

  

  21787444

  

  39916988

  

  39916989

  

  39916994

  

  Popular Name: 1-[(2S)-2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone 1-[(2S)-2-[1-[4-(2-methylphenoxy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 27065704

  • Molport

    • MolPort-007-699-926

  • Innovapharm

    • STT-00389465

  • Mcule

    • MCULE-9633801591

  • TimTec Make-on-Demand

    • ST51155984

  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)	3.98	12.44	-17.29	0	5	0	47	391.515	7	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.98	12.84	-32.76	1	5	1	49	392.523	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21787425
• 21787444
  

  Analogs

  39916988

  

  39916989

  

  39916992

  

  39916993

  

  39916994

  

  Popular Name: 1-[(2S)-2-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone 1-[(2S)-2-[1-[4-(2,6-dimethylphe…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 27065708

  • Molport

    • MolPort-007-699-929

  • Innovapharm

    • STT-00389466

  • Mcule

    • MCULE-6894808080

  • TimTec Make-on-Demand

    • ST51155985

  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)	4.38	13.26	-17.4	0	5	0	47	405.542	7	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	4.38	13.66	-32.29	1	5	1	49	406.55	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21787444
• 21787421
  

  Analogs

  21787425

  

  21787440

  

  21787444

  

  39916988

  

  39916989

  

  Popular Name: 1-[(2R)-2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone 1-[(2R)-2-[1-[4-(2-methylphenoxy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 27065704

  • Molport

    • MolPort-007-699-926

  • Innovapharm

    • STT-00389465

  • Mcule

    • MCULE-9633801591

  • TimTec Make-on-Demand

    • ST51155984

  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)	3.98	12.46	-17.05	0	5	0	47	391.515	7	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.98	12.85	-32.04	1	5	1	49	392.523	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21787421
• 21787440
  

  Analogs

  21787444

  

  39916988

  

  39916989

  

  39916994

  

  39916995

  

  Popular Name: 1-[(2R)-2-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone 1-[(2R)-2-[1-[4-(2,6-dimethylphe…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 27065708

  • Molport

    • MolPort-007-699-929

  • Innovapharm

    • STT-00389466

  • Mcule

    • MCULE-6894808080

  • TimTec Make-on-Demand

    • ST51155985

  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)	4.38	13.27	-17.25	0	5	0	47	405.542	7	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	4.38	13.67	-31.98	1	5	1	49	406.55	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21787440
• 4943212
  

  Analogs

  39916882

  

  39917018

  

  39917019

  

  39917020

  

  39917021

  

  Popular Name: N-methyl-N-[[1-[4-(4-methylphenoxy)butyl]benzoimidazol-2-yl]methyl]acetamide N-methyl-N-[[1-[4-(4-methylpheno…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm

    • STT-00249107

  • Innovapharm Make-on-Demand

    • VT-00231528

  • TimTec Make-on-Demand

    • ST45180471

  • PubChem

    • 16451922

  • Ambinter

    • Amb2575202

  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)	3.44	0.88	-20.2	0	5	0	47	365.477	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04943212