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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: 7-chloro-1-[(1S)-1-(3-thienyl)ethyl]benzimidazole-2-thiol 7-chloro-1-[(1S)-1-(3-thienyl)et…

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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) 3.66 8.58 -11.84 1 2 0 21 294.832 2 ↓

Analogs

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Popular Name: 7-chloro-1-[(1R)-1-(3-thienyl)ethyl]benzimidazole-2-thiol 7-chloro-1-[(1R)-1-(3-thienyl)et…

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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) 3.66 8.81 -10.72 1 2 0 21 294.832 2 ↓

Analogs

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Popular Name: 5-fluoro-1-[(1S)-1-(3-thienyl)ethyl]benzimidazole-2-thiol 5-fluoro-1-[(1S)-1-(3-thienyl)et…

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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) 3.17 8.94 -11.69 1 2 0 21 278.377 2 ↓

Analogs

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Popular Name: 5-fluoro-1-[(1R)-1-(3-thienyl)ethyl]benzimidazole-2-thiol 5-fluoro-1-[(1R)-1-(3-thienyl)et…

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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) 3.17 8.93 -11.66 1 2 0 21 278.377 2 ↓

Analogs

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Popular Name: 5-bromo-1-[(1S)-1-(3-thienyl)ethyl]benzimidazole-2-thiol 5-bromo-1-[(1S)-1-(3-thienyl)eth…

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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) 3.82 9.49 -11.04 1 2 0 21 339.283 2 ↓

Analogs

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Popular Name: 5-bromo-1-[(1R)-1-(3-thienyl)ethyl]benzimidazole-2-thiol 5-bromo-1-[(1R)-1-(3-thienyl)eth…

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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) 3.82 9.48 -11.02 1 2 0 21 339.283 2 ↓

Analogs

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Popular Name: 5-chloro-1-[(1S)-1-(3-thienyl)ethyl]benzimidazole-2-thiol 5-chloro-1-[(1S)-1-(3-thienyl)et…

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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) 3.68 9.39 -11.24 1 2 0 21 294.832 2 ↓

Analogs

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Popular Name: 5-chloro-1-[(1R)-1-(3-thienyl)ethyl]benzimidazole-2-thiol 5-chloro-1-[(1R)-1-(3-thienyl)et…

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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) 3.68 9.38 -11.2 1 2 0 21 294.832 2 ↓

Analogs

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Popular Name: 5-methyl-1-[(1S)-1-(3-thienyl)ethyl]benzimidazole-2-thiol 5-methyl-1-[(1S)-1-(3-thienyl)et…

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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) 3.45 9.54 -12.11 1 2 0 21 274.414 2 ↓

Analogs

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Popular Name: 5-methyl-1-[(1R)-1-(3-thienyl)ethyl]benzimidazole-2-thiol 5-methyl-1-[(1R)-1-(3-thienyl)et…

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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) 3.45 9.53 -12.09 1 2 0 21 274.414 2 ↓

Analogs

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Popular Name: 4-fluoro-1-[(1S)-1-(3-thienyl)ethyl]benzimidazole-2-thiol 4-fluoro-1-[(1S)-1-(3-thienyl)et…

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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) 3.15 8.94 -13.52 1 2 0 21 278.377 2 ↓
Hi High (pH 8-9.5) 3.87 8.59 -48.38 0 2 -1 18 277.369 2 ↓

Analogs

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Popular Name: 4-fluoro-1-[(1R)-1-(3-thienyl)ethyl]benzimidazole-2-thiol 4-fluoro-1-[(1R)-1-(3-thienyl)et…

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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) 3.15 8.92 -13.51 1 2 0 21 278.377 2 ↓
Hi High (pH 8-9.5) 3.87 8.59 -48.28 0 2 -1 18 277.369 2 ↓

Analogs

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Popular Name: 6,7-difluoro-1-[(1S)-1-(3-thienyl)ethyl]benzimidazole-2-thiol 6,7-difluoro-1-[(1S)-1-(3-thieny…

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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) 3.26 8.79 -12.4 1 2 0 21 296.367 2 ↓
Hi High (pH 8-9.5) 3.99 8.33 -38.47 0 2 -1 18 295.359 2 ↓

Analogs

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Popular Name: 6,7-difluoro-1-[(1R)-1-(3-thienyl)ethyl]benzimidazole-2-thiol 6,7-difluoro-1-[(1R)-1-(3-thieny…

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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) 3.26 8.62 -11.24 1 2 0 21 296.367 2 ↓
Hi High (pH 8-9.5) 3.99 8.29 -38.43 0 2 -1 18 295.359 2 ↓

Analogs

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Popular Name: 6-fluoro-1-[(1S)-1-(3-thienyl)ethyl]benzimidazole-2-thiol 6-fluoro-1-[(1S)-1-(3-thienyl)et…

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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) 3.17 8.94 -11.33 1 2 0 21 278.377 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-fluoro-1-[(1R)-1-(3-thienyl)ethyl]benzimidazole-2-thiol 6-fluoro-1-[(1R)-1-(3-thienyl)et…

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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) 3.17 8.92 -11.28 1 2 0 21 278.377 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-5-fluoro-benzimidazole-2-thiol 1-[(1R)-1-(2,5-dimethyl-3-thieny…

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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) 3.61 10.22 -11.81 1 2 0 21 306.431 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-5-fluoro-benzimidazole-2-thiol 1-[(1S)-1-(2,5-dimethyl-3-thieny…

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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) 3.61 10.12 -11.64 1 2 0 21 306.431 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-4-fluoro-benzimidazole-2-thiol 1-[(1R)-1-(2,5-dimethyl-3-thieny…

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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) 3.59 10.21 -13.83 1 2 0 21 306.431 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-4-fluoro-benzimidazole-2-thiol 1-[(1S)-1-(2,5-dimethyl-3-thieny…

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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) 3.59 10.12 -13.65 1 2 0 21 306.431 2 ↓

Parameters Provided:

ring.id = 212056
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 212056 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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