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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: 3-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-5-isopropyl-1,2,4-oxadiazole 3-[(1-ethylbenzimidazol-2-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) 3.52 7.55 -10.6 0 5 0 57 302.403 5 ↓
Lo Low (pH 4.5-6) 3.52 8 -27.84 1 5 1 58 303.411 5 ↓

Analogs

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Popular Name: 5-butyl-3-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole 5-butyl-3-[(1-ethylbenzimidazol-…

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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) 4.10 8.49 -10.66 0 5 0 57 316.43 7 ↓
Lo Low (pH 4.5-6) 4.10 8.94 -28.17 1 5 1 58 317.438 7 ↓

Analogs

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Popular Name: 5-butyl-3-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole 5-butyl-3-[(1-methylbenzimidazol…

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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) 3.73 7.58 -11 0 5 0 57 302.403 6 ↓
Lo Low (pH 4.5-6) 3.73 8.03 -28.8 1 5 1 58 303.411 6 ↓

Analogs

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Popular Name: 5-isopropyl-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole 5-isopropyl-3-[(6-methoxy-1H-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) 3.11 4.25 -9.84 1 6 0 77 304.375 5 ↓
Lo Low (pH 4.5-6) 3.11 4.63 -31.58 2 6 1 78 305.383 5 ↓

Analogs

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Popular Name: 5-butyl-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole 5-butyl-3-[(6-methoxy-1H-benzimi…

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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 5.19 -9.87 1 6 0 77 318.402 7 ↓
Lo Low (pH 4.5-6) 3.69 5.57 -31.81 2 6 1 78 319.41 7 ↓

Analogs

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Popular Name: 5-isopropyl-3-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole 5-isopropyl-3-[[1-(2-methoxyethy…

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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) 3.13 6.6 -10.14 0 6 0 66 332.429 7 ↓
Lo Low (pH 4.5-6) 3.13 7.05 -28.9 1 6 1 67 333.437 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-butyl-3-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole 5-butyl-3-[[1-(2-methoxyethyl)be…

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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 7.54 -10.17 0 6 0 66 346.456 9 ↓
Lo Low (pH 4.5-6) 3.71 7.99 -29.22 1 6 1 67 347.464 9 ↓

Analogs

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Popular Name: 5-methyl-3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole 5-methyl-3-[[6-(trifluoromethyl)…

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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 4.6 -9.47 1 5 0 68 314.292 4 ↓

Parameters Provided:

ring.id = 29883
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 = 29883 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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