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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 2-[(4-chlorophenoxy)methyl]-1-[(E)-cinnamyl]benzimidazole 2-[(4-chlorophenoxy)methyl]-1-[(…

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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) 6.28 13.89 -10.79 0 3 0 27 374.871 6 ↓
Lo Low (pH 4.5-6) 6.28 14.56 -34.12 1 3 1 28 375.879 6 ↓

Analogs

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Popular Name: 2-[(2-chlorophenoxy)methyl]-1-[(E)-cinnamyl]benzimidazole 2-[(2-chlorophenoxy)methyl]-1-[(…

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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) 6.24 13.93 -12.54 0 3 0 27 374.871 6 ↓
Lo Low (pH 4.5-6) 6.24 14.6 -32.49 1 3 1 28 375.879 6 ↓

Analogs

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Popular Name: 1-[(E)-cinnamyl]-2-[(2-methoxyphenoxy)methyl]benzimidazole 1-[(E)-cinnamyl]-2-[(2-methoxyph…

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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) 5.22 13.28 -14.07 0 4 0 36 370.452 7 ↓
Lo Low (pH 4.5-6) 5.22 13.93 -31.64 1 4 1 38 371.46 7 ↓

Analogs

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Popular Name: 1-[(E)-cinnamyl]-2-[(2-isopropyl-5-methyl-phenoxy)methyl]benzimidazole 1-[(E)-cinnamyl]-2-[(2-isopropyl…

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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) 7.02 16.07 -10.99 0 3 0 27 396.534 7 ↓
Lo Low (pH 4.5-6) 7.02 16.73 -31.09 1 3 1 28 397.542 7 ↓

Analogs

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Popular Name: 1-[(E)-cinnamyl]-2-[(3-methylphenoxy)methyl]benzimidazole 1-[(E)-cinnamyl]-2-[(3-methylphe…

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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) 6.03 14.05 -11.35 0 3 0 27 354.453 6 ↓
Lo Low (pH 4.5-6) 6.03 14.72 -31 1 3 1 28 355.461 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(E)-cinnamyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole 1-[(E)-cinnamyl]-2-[(3-methoxyph…

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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) 5.64 12.68 -13.28 0 4 0 36 370.452 7 ↓
Lo Low (pH 4.5-6) 5.64 13.35 -33.37 1 4 1 38 371.46 7 ↓

Analogs

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Popular Name: 1-[(E)-cinnamyl]-2-[(4-methylphenoxy)methyl]benzimidazole 1-[(E)-cinnamyl]-2-[(4-methylphe…

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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) 6.05 14.05 -11.13 0 3 0 27 354.453 6 ↓
Lo Low (pH 4.5-6) 6.05 14.72 -30.91 1 3 1 28 355.461 6 ↓

Analogs

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Popular Name: 1-[(E)-cinnamyl]-2-[(4-ethylphenoxy)methyl]benzimidazole 1-[(E)-cinnamyl]-2-[(4-ethylphen…

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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) 6.52 14.82 -10.95 0 3 0 27 368.48 7 ↓
Lo Low (pH 4.5-6) 6.52 15.49 -30.88 1 3 1 28 369.488 7 ↓

Analogs

13030771
13030771

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Popular Name: 1-[(E)-cinnamyl]-2-[(4-isopropylphenoxy)methyl]benzimidazole 1-[(E)-cinnamyl]-2-[(4-isopropyl…

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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) 7.12 15.3 -10.82 0 3 0 27 382.507 7 ↓
Lo Low (pH 4.5-6) 7.12 15.98 -30.82 1 3 1 28 383.515 7 ↓

Analogs

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Popular Name: 2-[(1S)-1-(4-chlorophenoxy)ethyl]-1-[(E)-cinnamyl]benzimidazole 2-[(1S)-1-(4-chlorophenoxy)ethyl…

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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) 6.65 14.28 -11.94 0 3 0 27 388.898 6 ↓
Mid Mid (pH 6-8) 6.65 14.72 -31.16 1 3 1 28 389.906 6 ↓

Analogs

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Popular Name: 2-[(1R)-1-(4-chlorophenoxy)ethyl]-1-[(E)-cinnamyl]benzimidazole 2-[(1R)-1-(4-chlorophenoxy)ethyl…

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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) 6.65 14.3 -12.34 0 3 0 27 388.898 6 ↓
Mid Mid (pH 6-8) 6.65 14.98 -31.24 1 3 1 28 389.906 6 ↓

Analogs

40237319
40237319

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Popular Name: 2-[(1S)-1-(4-chloro-3-methyl-phenoxy)ethyl]-1-[(E)-cinnamyl]benzimidazole 2-[(1S)-1-(4-chloro-3-methyl-phe…

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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) 7.02 14.87 -12.02 0 3 0 27 402.925 6 ↓
Mid Mid (pH 6-8) 7.02 15.3 -31.13 1 3 1 28 403.933 6 ↓

Analogs

40237317
40237317

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Popular Name: 2-[(1R)-1-(4-chloro-3-methyl-phenoxy)ethyl]-1-[(E)-cinnamyl]benzimidazole 2-[(1R)-1-(4-chloro-3-methyl-phe…

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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) 7.02 14.88 -12.46 0 3 0 27 402.925 6 ↓
Mid Mid (pH 6-8) 7.02 15.57 -31.13 1 3 1 28 403.933 6 ↓

Parameters Provided:

ring.id = 7547
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 7547 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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