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Analogs

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Popular Name: 6-(4-fluorophenyl)pyrimidine-2,4-diol 6-(4-fluorophenyl)pyrimidine-2,4…

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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) 1.16 2.3 -10.12 2 4 0 66 206.176 1 ↓
Hi High (pH 8-9.5) 1.62 0.62 -35.94 1 4 -1 69 205.168 1 ↓

Analogs

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Popular Name: 6-(4-ethylphenyl)pyrimidine-2,4-diol 6-(4-ethylphenyl)pyrimidine-2,4-…

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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) 1.91 3.69 -8.85 2 4 0 66 216.24 2 ↓

Analogs

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Popular Name: 6-(3,4-dimethylphenyl)pyrimidine-2,4-diol 6-(3,4-dimethylphenyl)pyrimidine…

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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 3.47 -8.89 2 4 0 66 216.24 1 ↓
Hi High (pH 8-9.5) 2.28 1.77 -40.36 1 4 -1 69 215.232 1 ↓

Analogs

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Popular Name: 6-(2,5-dimethylphenyl)pyrimidine-2,4-diol 6-(2,5-dimethylphenyl)pyrimidine…

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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 3.68 -8.09 2 4 0 66 216.24 1 ↓
Hi High (pH 8-9.5) 2.28 1.84 -39.52 1 4 -1 69 215.232 1 ↓

Analogs

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Popular Name: 6-(2,4-dimethylphenyl)pyrimidine-2,4-diol 6-(2,4-dimethylphenyl)pyrimidine…

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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 3.71 -8.15 2 4 0 66 216.24 1 ↓

Analogs

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Popular Name: 6-(2-Methoxyphenyl)pyrimidine-2,4(1H,3H)-dione 6-(2-Methoxyphenyl)pyrimidine-2,…

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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) 1.00 1.71 -9.57 2 5 0 75 218.212 2 ↓
Hi High (pH 8-9.5) 1.46 0.46 -44.29 1 5 -1 78 217.204 2 ↓

Analogs

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Popular Name: 6-(3-Methoxyphenyl)pyrimidine-2,4(1H,3H)-dione 6-(3-Methoxyphenyl)pyrimidine-2,…

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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) 1.03 1.54 -9.98 2 5 0 75 218.212 2 ↓
Hi High (pH 8-9.5) 1.48 -0.15 -42.32 1 5 -1 78 217.204 2 ↓

Analogs

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Popular Name: 6-(2,5-difluorophenyl)pyrimidine-2,4-diol 6-(2,5-difluorophenyl)pyrimidine…

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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) 1.25 2.39 -9 2 4 0 66 224.166 1 ↓
Hi High (pH 8-9.5) 1.71 0.98 -40.02 1 4 -1 69 223.158 1 ↓

Analogs

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Popular Name: 6-(3,4-difluorophenyl)pyrimidine-2,4-diol 6-(3,4-difluorophenyl)pyrimidine…

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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) 1.25 2.36 -11.87 2 4 0 66 224.166 1 ↓
Hi High (pH 8-9.5) 1.71 0.67 -33.74 1 4 -1 69 223.158 1 ↓

Analogs

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Popular Name: 6-(2,4-difluorophenyl)pyrimidine-2,4-diol 6-(2,4-difluorophenyl)pyrimidine…

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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) 1.25 2.4 -9.49 2 4 0 66 224.166 1 ↓
Hi High (pH 8-9.5) 1.71 0.98 -39.6 1 4 -1 69 223.158 1 ↓

Analogs

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Popular Name: 6-(4-isopropylphenyl)pyrimidine-2,4-diol 6-(4-isopropylphenyl)pyrimidine-…

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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) 2.51 4.16 -8.72 2 4 0 66 230.267 2 ↓

Analogs

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Popular Name: 6-(4-propylphenyl)pyrimidine-2,4-diol 6-(4-propylphenyl)pyrimidine-2,4…

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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) 2.30 4.47 -8.79 2 4 0 66 230.267 3 ↓

Analogs

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Popular Name: 6-(2,4,6-trimethylphenyl)pyrimidine-2,4-diol 6-(2,4,6-trimethylphenyl)pyrimid…

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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) 2.20 4.23 -7.75 2 4 0 66 230.267 1 ↓

Analogs

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Popular Name: 6-(2-methoxy-5-methyl-phenyl)pyrimidine-2,4-diol 6-(2-methoxy-5-methyl-phenyl)pyr…

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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) 1.43 2.37 -9.16 2 5 0 75 232.239 2 ↓
Hi High (pH 8-9.5) 1.88 1.12 -44.19 1 5 -1 78 231.231 2 ↓

Analogs

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Popular Name: 6-(4-Ethoxyphenyl)pyrimidine-2,4(1H,3H)-dione 6-(4-Ethoxyphenyl)pyrimidine-2,4…

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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) 1.43 2.47 -10.27 2 5 0 75 232.239 3 ↓

Analogs

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Popular Name: 6-(3-fluoro-4-methoxy-phenyl)pyrimidine-2,4-diol 6-(3-fluoro-4-methoxy-phenyl)pyr…

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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 1.61 -12.75 2 5 0 75 236.202 2 ↓

Analogs

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Popular Name: 6-(4-tert-butylphenyl)pyrimidine-2,4-diol 6-(4-tert-butylphenyl)pyrimidine…

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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) 2.70 4.57 -8.68 2 4 0 66 244.294 2 ↓

Analogs

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Popular Name: 6-(4-isobutylphenyl)pyrimidine-2,4-diol 6-(4-isobutylphenyl)pyrimidine-2…

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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) 2.30 4.93 -8.71 2 4 0 66 244.294 3 ↓

Analogs

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Popular Name: 6-(3,4-dimethoxyphenyl)pyrimidine-2,4-diol 6-(3,4-dimethoxyphenyl)pyrimidin…

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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) 0.64 1.46 -12.34 2 6 0 84 248.238 3 ↓

Analogs

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Popular Name: 6-(2,5-dimethoxyphenyl)pyrimidine-2,4-diol 6-(2,5-dimethoxyphenyl)pyrimidin…

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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) 1.04 0.99 -10.24 2 6 0 84 248.238 3 ↓
Hi High (pH 8-9.5) 1.49 -0.25 -44.53 1 6 -1 87 247.23 3 ↓

Analogs

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Popular Name: 6-(2,4-dimethoxyphenyl)pyrimidine-2,4-diol 6-(2,4-dimethoxyphenyl)pyrimidin…

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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) 1.04 1.01 -10.31 2 6 0 84 248.238 3 ↓

Analogs

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Popular Name: 6-(4-bromophenyl)pyrimidine-2,4-diol 6-(4-bromophenyl)pyrimidine-2,4-…

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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) 1.80 2.86 -9.53 2 4 0 66 267.082 1 ↓
Hi High (pH 8-9.5) 2.26 1.17 -35.82 1 4 -1 69 266.074 1 ↓

Analogs

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Popular Name: 6-(p-tolyl)pyrimidine-2,4-diol 6-(p-tolyl)pyrimidine-2,4-diol

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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) 1.44 1.05 -14.24 2 4 0 66 202.213 1 ↓

Parameters Provided:

ring.id = 27712
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 = 27712 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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