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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-1,3-benzoxazole 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) 3.37 4.48 -9.42 0 4 0 52 263.709 2 ↓

Analogs

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Popular Name: 2-(2-chloro-6-methyl-pyrimidin-4-yl)sulfanyl-1,3-benzoxazole 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) 3.78 5.15 -12.75 0 4 0 52 277.736 2 ↓

Analogs

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Popular Name: 2-(6-chloro-2-methyl-pyrimidin-4-yl)sulfanyl-1,3-benzoxazole 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) 3.45 5.09 -9.36 0 4 0 52 277.736 2 ↓

Analogs

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Popular Name: 2-(2-methylpyrimidin-4-yl)sulfanyl-1,3-benzoxazol-6-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) 1.49 2.55 -12.31 2 5 0 78 258.306 2 ↓

Analogs

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Popular Name: 2-(2-methylpyrimidin-4-yl)sulfanyl-1,3-benzoxazol-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) 1.49 1.85 -12.51 2 5 0 78 258.306 2 ↓

Analogs

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Popular Name: 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1,3-benzoxazol-6-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) 1.93 3.17 -12.17 2 5 0 78 272.333 2 ↓

Analogs

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Popular Name: 2-(2-isopropyl-6-methyl-pyrimidin-4-yl)sulfanyl-1,3-benzoxazol-6-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) 2.98 4.38 -11.47 2 5 0 78 300.387 3 ↓

Analogs

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Popular Name: 2-(6-methylpyrimidin-4-yl)sulfanyl-1,3-benzoxazol-6-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) 1.84 3.23 -11.85 2 5 0 78 258.306 2 ↓

Analogs

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Popular Name: 2-(6-ethylpyrimidin-4-yl)sulfanyl-1,3-benzoxazol-6-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) 2.41 4.02 -11.47 2 5 0 78 272.333 3 ↓

Analogs

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Popular Name: 2-(6-propylpyrimidin-4-yl)sulfanyl-1,3-benzoxazol-6-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) 2.91 4.8 -11.23 2 5 0 78 286.36 4 ↓

Analogs

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Popular Name: 2-(6-isopropylpyrimidin-4-yl)sulfanyl-1,3-benzoxazol-6-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) 2.89 4.44 -11.11 2 5 0 78 286.36 3 ↓

Analogs

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Popular Name: 2-pyrimidin-4-ylsulfanyl-1,3-benzoxazol-6-amine 2-pyrimidin-4-ylsulfanyl-1,3-ben…

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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) 1.40 2.6 -12.08 2 5 0 78 244.279 2 ↓

Analogs

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Popular Name: 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1,3-benzoxazol-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) 1.93 2.47 -12.35 2 5 0 78 272.333 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-isopropyl-6-methyl-pyrimidin-4-yl)sulfanyl-1,3-benzoxazol-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) 2.98 3.67 -11.88 2 5 0 78 300.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6-methylpyrimidin-4-yl)sulfanyl-1,3-benzoxazol-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) 1.84 2.53 -11.92 2 5 0 78 258.306 2 ↓

Analogs

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Popular Name: 2-(6-ethylpyrimidin-4-yl)sulfanyl-1,3-benzoxazol-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) 2.41 3.32 -11.55 2 5 0 78 272.333 3 ↓

Analogs

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Popular Name: 2-(6-propylpyrimidin-4-yl)sulfanyl-1,3-benzoxazol-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) 2.91 4.11 -11.34 2 5 0 78 286.36 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6-isopropylpyrimidin-4-yl)sulfanyl-1,3-benzoxazol-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) 2.89 3.74 -11.15 2 5 0 78 286.36 3 ↓

Analogs

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Popular Name: 2-pyrimidin-4-ylsulfanyl-1,3-benzoxazol-5-amine 2-pyrimidin-4-ylsulfanyl-1,3-ben…

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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) 1.40 1.91 -12.18 2 5 0 78 244.279 2 ↓

Parameters Provided:

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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 = 21907 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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