User Information

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

ZINC25045149

• 25045149

Physical Representations

Activity (Go SEA)

• 25062775
  

  Analogs

  25062784

  

  25045155

  

  25045149

  

  Popular Name: (2S)-1-(4-tert-butylphenoxy)-3-[2-(methylsulfonylmethyl)benzimidazol-1-yl]propan-2-ol (2S)-1-(4-tert-butylphenoxy)-3-[…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 17200190

  • Molport

    • MolPort-005-687-481

  • Enamine

    • Z281149644

  • Mcule

    • MCULE-6453590349

  • Collaborative Drug Discovery

    • 1288514

  And 4 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)	3.72	6.61	-23.2	1	6	0	81	416.543	8	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	3.72	7.01	-43.59	2	6	1	83	417.551	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC25062775
• 25062784
  

  Analogs

  25062775

  

  Popular Name: (2R)-1-(4-tert-butylphenoxy)-3-[2-(methylsulfonylmethyl)benzimidazol-1-yl]propan-2-ol (2R)-1-(4-tert-butylphenoxy)-3-[…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 17200190

  • Molport

    • MolPort-005-687-481

  • Enamine

    • Z281149644

  • Mcule

    • MCULE-6453590349

  • Collaborative Drug Discovery

    • 1288514

  And 4 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)	3.72	6.62	-22.65	1	6	0	81	416.543	8	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	3.72	7.01	-43.36	2	6	1	83	417.551	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC25062784
• 32907299
  

  Analogs

  25045155

  

  25045149

  

  Popular Name: (2S)-1-(2-methylphenoxy)-3-[2-(methylsulfonylmethyl)benzimidazol-1-yl]propan-2-ol (2S)-1-(2-methylphenoxy)-3-[2-(m…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Mcule

    • MCULE-7654092897

  • UORSY

    • PB281227174

  • PubChem

    • 42942526
    • 40143873

  • Mcule Make-on-demand

    • MCULE-7654092897

  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)	2.41	5	-23.53	1	6	0	81	374.462	7	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	2.41	5.4	-44.06	2	6	1	83	375.47	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32907299
• 32907300
  

  Analogs

  25045155

  

  25045149

  

  Popular Name: (2R)-1-(2-methylphenoxy)-3-[2-(methylsulfonylmethyl)benzimidazol-1-yl]propan-2-ol (2R)-1-(2-methylphenoxy)-3-[2-(m…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Mcule

    • MCULE-7654092897

  • UORSY

    • PB281227174

  • PubChem

    • 42942526
    • 40143874

  • Mcule Make-on-demand

    • MCULE-7654092897

  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)	2.41	5	-23.02	1	6	0	81	374.462	7	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	2.41	5.4	-43.78	2	6	1	83	375.47	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32907300
• 794536
  

  Analogs

  25045149

  

  25045155

  

  Popular Name: (2R)-1-(2,4-dichlorophenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol (2R)-1-(2,4-dichlorophenoxy)-3-(…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Asinex

    • BAS05466090

  • TimTec

    • ST50022049

  • UORSY Make-on-demand

    • PB31448962

  • ChemDB

    • 5172932

  • PubChem

    • 3152398

  And 2 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)	3.91	-2.07	-17.25	1	4	0	47	351.233	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00794536
• 794535
  

  Analogs

  25045149

  

  25045155

  

  Popular Name: (2S)-1-(2,4-dichlorophenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol (2S)-1-(2,4-dichlorophenoxy)-3-(…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Asinex

    • BAS05466090

  • TimTec

    • ST50022049

  • UORSY Make-on-demand

    • PB31448962

  • ChemDB

    • 5172932

  • PubChem

    • 3152398

  And 2 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)	3.91	-2.07	-17.27	1	4	0	47	351.233	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00794535
• 24988606
  

  Analogs

  25045149

  

  25045155

  

  Popular Name: (2R)-1-(3-ethylphenoxy)-3-[2-(methylsulfonylmethyl)benzimidazol-1-yl]propan-2-ol (2R)-1-(3-ethylphenoxy)-3-[2-(me…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 17201404

  • Molport

    • MolPort-005-687-852

  • Enamine

    • Z281149880

  • Mcule

    • MCULE-9877494258

  • Collaborative Drug Discovery

    • 1288515

  And 4 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)	2.90	5.81	-22.36	1	6	0	81	388.489	8	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	2.90	6.2	-43.44	2	6	1	83	389.497	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC24988606
• 24988603
  

  Analogs

  25045149

  

  25045155

  

  Popular Name: (2S)-1-(3-ethylphenoxy)-3-[2-(methylsulfonylmethyl)benzimidazol-1-yl]propan-2-ol (2S)-1-(3-ethylphenoxy)-3-[2-(me…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 17201404

  • Molport

    • MolPort-005-687-852

  • Enamine

    • Z281149880

  • Mcule

    • MCULE-9877494258

  • Collaborative Drug Discovery

    • 1288515

  And 4 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)	2.90	5.72	-23.72	1	6	0	81	388.489	8	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	2.90	6.11	-43.89	2	6	1	83	389.497	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC24988603