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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-(6-chloropyrimidin-4-yl)sulfanyl-6-ethoxy-1H-benzimidazole 2-(6-chloropyrimidin-4-yl)sulfan…

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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) 3.67 6.96 -9.08 1 5 0 64 306.778 4 ↓

Analogs

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Popular Name: 2-(6-chloropyrimidin-4-yl)sulfanyl-1H-benzimidazole 2-(6-chloropyrimidin-4-yl)sulfan…

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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 6.74 -9.3 1 4 0 54 262.725 2 ↓

Analogs

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Popular Name: 2-(6-chloropyrimidin-4-yl)sulfanyl-6-methoxy-1H-benzimidazole 2-(6-chloropyrimidin-4-yl)sulfan…

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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) 3.30 6.03 -9.29 1 5 0 64 292.751 3 ↓

Analogs

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Popular Name: 2-(2-chloro-6-methyl-pyrimidin-4-yl)sulfanyl-6-ethoxy-1H-benzimidazole 2-(2-chloro-6-methyl-pyrimidin-4…

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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) 4.09 6.94 -12.3 1 5 0 64 320.805 4 ↓
Lo Low (pH 4.5-6) 4.09 7.15 -27.34 2 5 1 65 321.813 4 ↓

Analogs

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Popular Name: 2-(2-chloro-6-methyl-pyrimidin-4-yl)sulfanyl-1H-benzimidazole 2-(2-chloro-6-methyl-pyrimidin-4…

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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 6.72 -12.89 1 4 0 54 276.752 2 ↓
Lo Low (pH 4.5-6) 3.68 6.95 -26.98 2 4 1 56 277.76 2 ↓

Analogs

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Popular Name: 2-(2-chloro-6-methyl-pyrimidin-4-yl)sulfanyl-6-methoxy-1H-benzimidazole 2-(2-chloro-6-methyl-pyrimidin-4…

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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) 3.71 6.01 -12.51 1 5 0 64 306.778 3 ↓
Lo Low (pH 4.5-6) 3.71 6.22 -27.46 2 5 1 65 307.786 3 ↓

Analogs

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Popular Name: 2-(6-chloro-2-methyl-pyrimidin-4-yl)sulfanyl-6-ethoxy-1H-benzimidazole 2-(6-chloro-2-methyl-pyrimidin-4…

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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) 3.76 6.89 -9.12 1 5 0 64 320.805 4 ↓
Lo Low (pH 4.5-6) 3.76 7.09 -28.07 2 5 1 65 321.813 4 ↓

Analogs

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Popular Name: 2-(6-chloro-2-methyl-pyrimidin-4-yl)sulfanyl-1H-benzimidazole 2-(6-chloro-2-methyl-pyrimidin-4…

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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) 3.35 6.67 -9.39 1 4 0 54 276.752 2 ↓
Lo Low (pH 4.5-6) 3.35 6.91 -27.21 2 4 1 56 277.76 2 ↓

Analogs

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Popular Name: 2-(6-chloro-2-methyl-pyrimidin-4-yl)sulfanyl-6-methoxy-1H-benzimidazole 2-(6-chloro-2-methyl-pyrimidin-4…

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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) 3.38 5.96 -9.4 1 5 0 64 306.778 3 ↓
Lo Low (pH 4.5-6) 3.38 6.16 -28.13 2 5 1 65 307.786 3 ↓

Analogs

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Popular Name: 2-(2-chloropyrimidin-4-yl)sulfanyl-5-methyl-1H-benzimidazole 2-(2-chloropyrimidin-4-yl)sulfan…

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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) 3.67 6.75 -12.96 1 4 0 54 276.752 2 ↓
Lo Low (pH 4.5-6) 3.67 6.96 -26.84 2 4 1 56 277.76 2 ↓

Analogs

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Popular Name: 2-(6-chloro-5-nitro-pyrimidin-4-yl)sulfanyl-5-methyl-1H-benzimidazole 2-(6-chloro-5-nitro-pyrimidin-4-…

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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) 3.57 8.29 -7.95 1 7 0 100 321.749 3 ↓
Lo Low (pH 4.5-6) 3.57 8.5 -29.4 2 7 1 102 322.757 3 ↓

Analogs

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Popular Name: 2-(6-chloro-2-methyl-pyrimidin-4-yl)sulfanyl-5-methyl-1H-benzimidazole 2-(6-chloro-2-methyl-pyrimidin-4…

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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) 3.77 7.34 -9.08 1 4 0 54 290.779 2 ↓
Lo Low (pH 4.5-6) 3.77 7.54 -26.63 2 4 1 56 291.787 2 ↓

Analogs

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Popular Name: 2-(2-chloro-6-methyl-pyrimidin-4-yl)sulfanyl-5-methyl-1H-benzimidazole 2-(2-chloro-6-methyl-pyrimidin-4…

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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) 4.11 7.39 -12.65 1 4 0 54 290.779 2 ↓
Lo Low (pH 4.5-6) 4.11 7.6 -26.29 2 4 1 56 291.787 2 ↓

Analogs

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Popular Name: 2-(6-chloropyrimidin-4-yl)sulfanyl-5-methyl-1H-benzimidazole 2-(6-chloropyrimidin-4-yl)sulfan…

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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) 3.69 7.41 -9 1 4 0 54 276.752 2 ↓
Lo Low (pH 4.5-6) 3.69 7.62 -26.84 2 4 1 56 277.76 2 ↓

Analogs

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Popular Name: 2-(2-methylpyrimidin-4-yl)sulfanyl-3H-benzimidazol-5-amine 2-(2-methylpyrimidin-4-yl)sulfan…

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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) 1.38 4.13 -11.8 3 5 0 80 257.322 2 ↓
Lo Low (pH 4.5-6) 1.38 4.33 -25.17 4 5 1 82 258.33 2 ↓

Analogs

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Popular Name: 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-3H-benzimidazol-5-amine 2-(2,6-dimethylpyrimidin-4-yl)su…

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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) 1.82 4.74 -11.76 3 5 0 80 271.349 2 ↓

Analogs

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Popular Name: 2-(2-isopropyl-6-methyl-pyrimidin-4-yl)sulfanyl-3H-benzimidazol-5-amine 2-(2-isopropyl-6-methyl-pyrimidi…

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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) 2.88 5.95 -10.9 3 5 0 80 299.403 3 ↓

Analogs

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Popular Name: 2-(6-methylpyrimidin-4-yl)sulfanyl-3H-benzimidazol-5-amine 2-(6-methylpyrimidin-4-yl)sulfan…

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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) 1.74 4.81 -11.51 3 5 0 80 257.322 2 ↓

Analogs

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Popular Name: 2-(6-ethylpyrimidin-4-yl)sulfanyl-3H-benzimidazol-5-amine 2-(6-ethylpyrimidin-4-yl)sulfany…

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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) 2.31 5.6 -11.17 3 5 0 80 271.349 3 ↓

Analogs

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Popular Name: 2-(6-propylpyrimidin-4-yl)sulfanyl-3H-benzimidazol-5-amine 2-(6-propylpyrimidin-4-yl)sulfan…

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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) 2.81 6.38 -10.9 3 5 0 80 285.376 4 ↓

Analogs

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Popular Name: 2-(6-isopropylpyrimidin-4-yl)sulfanyl-3H-benzimidazol-5-amine 2-(6-isopropylpyrimidin-4-yl)sul…

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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) 2.79 6.03 -10.89 3 5 0 80 285.376 3 ↓

Analogs

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Popular Name: 2-pyrimidin-4-ylsulfanyl-3H-benzimidazol-5-amine 2-pyrimidin-4-ylsulfanyl-3H-benz…

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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) 1.30 4.18 -11.59 3 5 0 80 243.295 2 ↓

Parameters Provided:

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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 = 21895 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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