User Information

• Synonyms (0)
• Vendors (16)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (18)

ZINC07425472

• 7425472

Physical Representations

Activity (Go SEA)

• 21171022
  

  Analogs

  39899896

  

  39899897

  

  39900022

  

  39900023

  

  39900068

  

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

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 16104017

  • Molport

    • MolPort-007-689-793

  • Mcule

    • MCULE-1770615828

  • PubChem

    • 23607150

  • Ambinter

    • Amb16664473

  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)	4.05	8.52	-13.74	1	4	0	47	324.424	7	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	4.05	8.94	-32.08	2	4	1	49	325.432	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21171022
• 21171027
  

  Analogs

  39899896

  

  39899897

  

  39900022

  

  39900023

  

  39900068

  

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

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 16104017

  • Molport

    • MolPort-007-689-793

  • Mcule

    • MCULE-1770615828

  • PubChem

    • 23607150

  • Ambinter

    • Amb16664473

  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)	4.05	8.55	-13.44	1	4	0	47	324.424	7	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	4.05	8.98	-31.66	2	4	1	49	325.432	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21171027
• 39906912
  

  Analogs

  21171027

  

  Popular Name: 2-[(1S)-1-(3-methylphenoxy)propyl]-1-(3-phenoxypropyl)benzimidazole 2-[(1S)-1-(3-methylphenoxy)propy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00215793

  • PubChem

    • 18877952

  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)	6.50	14.04	-14.33	0	4	0	36	400.522	9	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	6.50	14.44	-29.96	1	4	1	38	401.53	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39906912
• 39906913
  

  Analogs

  21171027

  

  Popular Name: 2-[(1R)-1-(3-methylphenoxy)propyl]-1-(3-phenoxypropyl)benzimidazole 2-[(1R)-1-(3-methylphenoxy)propy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00215793

  • PubChem

    • 18877952

  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)	6.50	14.09	-14.87	0	4	0	36	400.522	9	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	6.50	14.75	-29.39	1	4	1	38	401.53	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39906913
• 39906916
  

  Analogs

  7425466

  

  Popular Name: 1-[3-(2-methoxyphenoxy)propyl]-2-[(1S)-1-(3-methylphenoxy)propyl]benzimidazole 1-[3-(2-methoxyphenoxy)propyl]-2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00215795

  • PubChem

    • 18877954

  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)	6.11	13.95	-16.88	0	5	0	46	430.548	10	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	6.11	14.35	-31.6	1	5	1	47	431.556	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39906916
• 39906917
  

  Analogs

  7425466

  

  Popular Name: 1-[3-(2-methoxyphenoxy)propyl]-2-[(1R)-1-(3-methylphenoxy)propyl]benzimidazole 1-[3-(2-methoxyphenoxy)propyl]-2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00215795

  • PubChem

    • 18877954

  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)	6.11	13.99	-17.73	0	5	0	46	430.548	10	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	6.11	14.66	-31.09	1	5	1	47	431.556	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39906917
• 39906928
  

  Analogs

  12418921

  

  Popular Name: 2-[(1S)-1-(3-methylphenoxy)propyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole 2-[(1S)-1-(3-methylphenoxy)propy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00215801

  • PubChem

    • 18877960

  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)	6.95	14.72	-14.25	0	4	0	36	414.549	9	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	6.95	15.12	-29.91	1	4	1	38	415.557	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39906928
• 39906932
  

  Analogs

  21171027

  

  Popular Name: 1-[3-(4-methoxyphenoxy)propyl]-2-[(1S)-1-(3-methylphenoxy)propyl]benzimidazole 1-[3-(4-methoxyphenoxy)propyl]-2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00215803

  • PubChem

    • 18877962

  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)	6.55	13.33	-15.4	0	5	0	46	430.548	10	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	6.55	13.73	-31.65	1	5	1	47	431.556	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39906932
• 39906933
  

  Analogs

  21171027

  

  Popular Name: 1-[3-(4-methoxyphenoxy)propyl]-2-[(1R)-1-(3-methylphenoxy)propyl]benzimidazole 1-[3-(4-methoxyphenoxy)propyl]-2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00215803

  • PubChem

    • 18877962

  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)	6.55	13.38	-15.84	0	5	0	46	430.548	10	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	6.55	14.04	-30.93	1	5	1	47	431.556	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39906933
• 39906938
  

  Analogs

  21171027

  

  Popular Name: 2-[(1S)-1-(3-methylphenoxy)propyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole 2-[(1S)-1-(3-methylphenoxy)propy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00215806

  • PubChem

    • 18877965

  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)	6.92	14.72	-14.35	0	4	0	36	414.549	9	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	6.92	15.12	-29.98	1	4	1	38	415.557	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39906938
• 39906939
  

  Analogs

  21171027

  

  Popular Name: 2-[(1R)-1-(3-methylphenoxy)propyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole 2-[(1R)-1-(3-methylphenoxy)propy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00215806

  • PubChem

    • 18877965

  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)	6.92	14.77	-15.01	0	4	0	36	414.549	9	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	6.92	15.44	-29.47	1	4	1	38	415.557	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39906939
• 39906940
  

  Analogs

  21171027

  

  Popular Name: 2-[(1S)-1-(3-methylphenoxy)propyl]-1-[3-(1-naphthyloxy)propyl]benzimidazole 2-[(1S)-1-(3-methylphenoxy)propy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00215807

  • PubChem

    • 18877966

  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)	7.66	16.37	-15.74	0	4	0	36	450.582	9	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	7.66	16.78	-31.84	1	4	1	38	451.59	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39906940
• 39906941
  

  Analogs

  21171027

  

  Popular Name: 2-[(1R)-1-(3-methylphenoxy)propyl]-1-[3-(1-naphthyloxy)propyl]benzimidazole 2-[(1R)-1-(3-methylphenoxy)propy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00215807

  • PubChem

    • 18877966

  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)	7.66	16.42	-16.31	0	4	0	36	450.582	9	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	7.66	17.08	-31.13	1	4	1	38	451.59	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39906941
• 39906942
  

  Analogs

  21787622

  

  Popular Name: 2-[(1S)-1-(3-methylphenoxy)propyl]-1-[3-(2-naphthyloxy)propyl]benzimidazole 2-[(1S)-1-(3-methylphenoxy)propy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00215808

  • PubChem

    • 18877967

  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)	7.68	16.33	-16.18	0	4	0	36	450.582	9	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	7.68	16.73	-32.35	1	4	1	38	451.59	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39906942
• 39906943
  

  Analogs

  21787622

  

  Popular Name: 2-[(1R)-1-(3-methylphenoxy)propyl]-1-[3-(2-naphthyloxy)propyl]benzimidazole 2-[(1R)-1-(3-methylphenoxy)propy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00215808

  • PubChem

    • 18877967

  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)	7.68	16.38	-16.89	0	4	0	36	450.582	9	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	7.68	17.05	-31.45	1	4	1	38	451.59	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39906943
• 39907101
  

  Analogs

  21171027

  

  Popular Name: 1-[3-(3-methylphenoxy)propyl]-2-[(1R)-1-phenoxypropyl]benzimidazole 1-[3-(3-methylphenoxy)propyl]-2-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00215893

  • PubChem

    • 18878050

  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)	6.50	14.1	-14.97	0	4	0	36	400.522	9	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	6.50	14.77	-29.46	1	4	1	38	401.53	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39907101
• 39917720
  

  Analogs

  12438439

  

  Popular Name: 2-[3-(azepan-1-yl)propyl]-1-[3-(3,5-dimethylphenoxy)propyl]benzimidazole 2-[3-(azepan-1-yl)propyl]-1-[3-(…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00231408

  • PubChem

    • 18885603

  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)	6.27	16.38	-47.4	1	4	1	31	420.621	9	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	6.27	16.69	-97.23	2	4	2	33	421.629	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39917720
• 7425470
  

  Analogs

  7425472

  

  21171022

  

  21171027

  

  39906912

  

  39906913

  

  Popular Name: 1-[1-[3-(3,5-dimethylphenoxy)propyl]benzoimidazol-2-yl]propan-1-ol 1-[1-[3-(3,5-dimethylphenoxy)pro…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK709144

  • eMolecules

    • 32268540
    • 9876302

  • Molport

    • MolPort-002-749-197

  • BioBlocks

    • A4274/0182236

  And 18 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)	4.45	9.27	-11.24	1	4	0	47	338.451	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC07425470