User Information

• Synonyms (0)
• Vendors (8)
• Annotations (1)
• Representations (2)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (4)

ZINC33317625

• 33317625

Physical Representations

Activity (Go SEA)

• 40188175
  

  Analogs

  4809892

  

  Popular Name: N-[(1R)-1-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide N-[(1R)-1-[1-[2-(2,4-dimethylphe…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00542233

  • PubChem

    • 16968292

  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)	5.84	12.85	-9.28	1	5	0	56	419.569	7	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	5.84	13.41	-33.84	2	5	1	57	420.577	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC40188175
• 40188176
  

  Analogs

  4809892

  

  Popular Name: N-[(1S)-1-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide N-[(1S)-1-[1-[2-(2,4-dimethylphe…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00542233

  • PubChem

    • 16968292

  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)	5.84	12.83	-9.08	1	5	0	56	419.569	7	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	5.84	13.3	-33.72	2	5	1	57	420.577	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC40188176
• 31903351
  

  Analogs

  31903352

  

  31903371

  

  31903372

  

  33317620

  

  33317623

  

  Popular Name: 1-[(2R)-2-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one 1-[(2R)-2-[1-[2-(2,6-dimethylphe…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK884025

  • eMolecules

    • 29609412

  • Molport

    • MolPort-008-006-749

  • Enamine

    • Z596250310

  • Innovapharm

    • STT-00342134

  And 6 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)	4.67	12.45	-15.72	0	5	0	47	391.515	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	4.67	12.95	-30.97	1	5	1	49	392.523	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC31903351
• 31903352
  

  Analogs

  31903371

  

  31903372

  

  33317620

  

  33317623

  

  33317625

  

  Popular Name: 1-[(2S)-2-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one 1-[(2S)-2-[1-[2-(2,6-dimethylphe…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK884025

  • eMolecules

    • 29609412

  • Molport

    • MolPort-008-006-749

  • Enamine

    • Z596250310

  • Innovapharm

    • STT-00342134

  And 6 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)	4.67	12.43	-15.72	0	5	0	47	391.515	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	4.67	12.91	-31.17	1	5	1	49	392.523	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC31903352