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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-pyrimidin-2-yl-1H-imidazole-4-carboxylic 2-pyrimidin-2-yl-1H-imidazole-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) 0.03 2.81 -61.05 1 6 -1 95 189.154 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) 0.29 2.83 -11.25 1 6 0 81 204.189 3 ↓

Analogs

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Popular Name: 5,6-dihydroxy-2-(1H-imidazol-2-yl)pyrimidine-4-carboxylic 5,6-dihydroxy-2-(1H-imidazol-2-y…

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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) 0.08 -1.33 -88.96 3 8 -1 139 221.152 2 ↓
Hi High (pH 8-9.5) -0.38 0.38 -50.66 3 8 -1 135 221.152 2 ↓
Mid Mid (pH 6-8) 0.08 -3.29 -54.42 4 8 0 136 222.16 2 ↓

Analogs

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Popular Name: (2-pyrimidin-2-yl-1H-imidazol-4-yl)methanamine (2-pyrimidin-2-yl-1H-imidazol-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) -0.36 0.23 -47.41 4 5 1 82 176.203 2 ↓
Hi High (pH 8-9.5) -0.36 -0.21 -47.51 3 5 0 80 175.195 2 ↓
Hi High (pH 8-9.5) -0.36 -0.19 -11.63 3 5 0 80 175.195 2 ↓

Analogs

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Popular Name: N-methyl-1-(2-pyrimidin-2-yl-1H-imidazol-4-yl)methanamine N-methyl-1-(2-pyrimidin-2-yl-1H-…

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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) 0.02 2.1 -42.46 3 5 1 71 190.23 3 ↓
Hi High (pH 8-9.5) 0.02 1.66 -43.01 2 5 0 69 189.222 3 ↓

Analogs

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Popular Name: N-[(2-pyrimidin-2-yl-1H-imidazol-4-yl)methyl]ethanamine N-[(2-pyrimidin-2-yl-1H-imidazol…

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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) 0.39 2.96 -41.63 3 5 1 71 204.257 4 ↓
Hi High (pH 8-9.5) 0.39 2.52 -41.3 2 5 0 69 203.249 4 ↓

Analogs

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Popular Name: N-[(2-pyrimidin-2-yl-1H-imidazol-4-yl)methyl]propan-1-amine N-[(2-pyrimidin-2-yl-1H-imidazol…

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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) 0.90 3.71 -42.38 3 5 1 71 218.284 5 ↓
Hi High (pH 8-9.5) 0.90 3.28 -41.13 2 5 0 69 217.276 5 ↓

Analogs

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Popular Name: N-[(2-pyrimidin-2-yl-1H-imidazol-4-yl)methyl]propan-2-amine N-[(2-pyrimidin-2-yl-1H-imidazol…

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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) 0.69 3.49 -39.68 3 5 1 71 218.284 4 ↓
Hi High (pH 8-9.5) 0.69 3.05 -39.28 2 5 0 69 217.276 4 ↓

Analogs

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Popular Name: 2-methyl-N-[(2-pyrimidin-2-yl-1H-imidazol-4-yl)methyl]propan-2-amine 2-methyl-N-[(2-pyrimidin-2-yl-1H…

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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) 1.20 3.91 -38.37 3 5 1 71 232.311 4 ↓
Hi High (pH 8-9.5) 1.20 3.47 -37.85 2 5 0 69 231.303 4 ↓

Analogs

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Popular Name: 2-methyl-N-[(2-pyrimidin-2-yl-1H-imidazol-4-yl)methyl]propan-1-amine 2-methyl-N-[(2-pyrimidin-2-yl-1H…

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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) 1.14 4.41 -42.14 3 5 1 71 232.311 5 ↓
Hi High (pH 8-9.5) 1.14 3.97 -40.68 2 5 0 69 231.303 5 ↓

Analogs

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Popular Name: 2-methoxy-N-[(2-pyrimidin-2-yl-1H-imidazol-4-yl)methyl]ethanamine 2-methoxy-N-[(2-pyrimidin-2-yl-1…

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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) 0.00 2.1 -43.25 3 6 1 80 234.283 6 ↓
Hi High (pH 8-9.5) 0.00 0.3 -49.26 1 6 -1 74 232.267 6 ↓
Hi High (pH 8-9.5) 0.00 0.74 -13.24 2 6 0 76 233.275 6 ↓

Analogs

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Popular Name: 2-pyrimidin-2-yl-1H-imidazole-4-carbaldehyde 2-pyrimidin-2-yl-1H-imidazole-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) 0.25 1.94 -21.89 1 5 0 72 174.163 2 ↓
Hi High (pH 8-9.5) 0.25 1.48 -49.61 0 5 -1 70 173.155 2 ↓

Parameters Provided:

ring.id = 17851
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 = 17851 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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