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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-(1,3-benzodioxol-5-yl)-1H-imidazole-4-carboxylic 2-(1,3-benzodioxol-5-yl)-1H-imid…

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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 4.18 -59.81 1 6 -1 87 231.187 2 ↓
Mid Mid (pH 6-8) 1.74 4.59 -36.16 2 6 0 89 232.195 2 ↓

Analogs

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Popular Name: 2-(7-chloro-1,3-benzodioxol-5-yl)-1H-imidazole-4-carboxylic 2-(7-chloro-1,3-benzodioxol-5-yl…

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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) 2.35 4.69 -55.43 1 6 -1 87 265.632 2 ↓
Mid Mid (pH 6-8) 2.35 5.1 -37.44 2 6 0 89 266.64 2 ↓

Analogs

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Popular Name: 2-(7-bromo-1,3-benzodioxol-5-yl)-1H-imidazole-4-carboxylic 2-(7-bromo-1,3-benzodioxol-5-yl)…

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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) 2.48 4.8 -55.33 1 6 -1 87 310.083 2 ↓
Mid Mid (pH 6-8) 2.48 5.21 -37.32 2 6 0 89 311.091 2 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.00 4.24 -14.1 1 6 0 73 246.222 3 ↓
Lo Low (pH 4.5-6) 2.00 4.67 -37.07 2 6 1 75 247.23 3 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.61 4.75 -12.1 1 6 0 73 280.667 3 ↓
Lo Low (pH 4.5-6) 2.61 5.16 -38.88 2 6 1 75 281.675 3 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.74 4.86 -11.94 1 6 0 73 325.118 3 ↓
Lo Low (pH 4.5-6) 2.74 5.27 -38.7 2 6 1 75 326.126 3 ↓

Analogs

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Popular Name: 2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-4-yl]acetic 2-[2-(1,3-benzodioxol-5-yl)-5-me…

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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 5.82 -39.86 2 6 0 89 260.249 3 ↓
Hi High (pH 8-9.5) 1.82 5.4 -56.74 1 6 -1 87 259.241 3 ↓

Analogs

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Popular Name: [2-(1,3-benzodioxol-5-yl)-1H-imidazol-4-yl]methanol [2-(1,3-benzodioxol-5-yl)-1H-imi…

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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) 1.51 1.39 -33.32 3 5 1 69 219.22 2 ↓
Mid Mid (pH 6-8) 1.51 0.97 -12.98 2 5 0 67 218.212 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3-benzodioxol-5-yl)-1H-imidazole 2-(1,3-benzodioxol-5-yl)-1H-imid…

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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 3.68 -10.81 1 4 0 47 188.186 1 ↓
Mid Mid (pH 6-8) 1.93 4.18 -35.24 2 4 1 48 189.194 1 ↓

Parameters Provided:

ring.id = 17926
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 = 17926 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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