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Analogs

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Popular Name: 5-(2-hydroxyphenyl)pyrimidine-2,4-diol 5-(2-hydroxyphenyl)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) 0.78 -0.38 -11.34 3 5 0 86 204.185 1 ↓
Hi High (pH 8-9.5) 1.24 -2.35 -38.26 2 5 -1 89 203.177 1 ↓

Analogs

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Popular Name: 5-(3-hydroxyphenyl)pyrimidine-2,4-diol 5-(3-hydroxyphenyl)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) 0.54 -0.42 -14.42 3 5 0 86 204.185 1 ↓
Hi High (pH 8-9.5) 1.00 -2.37 -38.34 2 5 -1 89 203.177 1 ↓

Analogs

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Popular Name: 5-(4-hydroxyphenyl)pyrimidine-2,4-diol 5-(4-hydroxyphenyl)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) 0.57 -0.42 -13.86 3 5 0 86 204.185 1 ↓
Hi High (pH 8-9.5) 1.02 -2.37 -37.15 2 5 -1 89 203.177 1 ↓

Analogs

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Popular Name: 3-(2,4-dihydroxypyrimidin-5-yl)benzonitrile 3-(2,4-dihydroxypyrimidin-5-yl)b…

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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) 0.78 2.83 -14.9 2 5 0 90 213.196 1 ↓
Hi High (pH 8-9.5) 1.23 0.88 -36.37 1 5 -1 93 212.188 1 ↓

Analogs

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Popular Name: 4-(2,4-dihydroxypyrimidin-5-yl)benzonitrile 4-(2,4-dihydroxypyrimidin-5-yl)b…

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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) 0.80 2.83 -16.07 2 5 0 90 213.196 1 ↓
Hi High (pH 8-9.5) 1.26 0.89 -35.18 1 5 -1 93 212.188 1 ↓

Analogs

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Popular Name: 2-(2,4-dihydroxypyrimidin-5-yl)benzaldehyde 2-(2,4-dihydroxypyrimidin-5-yl)b…

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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) 0.79 2.01 -15.19 2 5 0 83 216.196 2 ↓
Hi High (pH 8-9.5) 1.24 0.06 -36.23 1 5 -1 86 215.188 2 ↓

Analogs

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Popular Name: 3-(2,4-dihydroxypyrimidin-5-yl)benzaldehyde 3-(2,4-dihydroxypyrimidin-5-yl)b…

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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) 0.81 2.16 -17.41 2 5 0 83 216.196 2 ↓
Hi High (pH 8-9.5) 1.27 0.21 -37.43 1 5 -1 86 215.188 2 ↓

Analogs

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Popular Name: 4-(2,4-dihydroxypyrimidin-5-yl)benzaldehyde 4-(2,4-dihydroxypyrimidin-5-yl)b…

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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) 0.84 2.17 -18.68 2 5 0 83 216.196 2 ↓
Hi High (pH 8-9.5) 1.29 0.22 -40.65 1 5 -1 86 215.188 2 ↓

Analogs

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Popular Name: 5-(2,3-dimethylphenyl)pyrimidine-2,4-diol 5-(2,3-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) 1.85 3.45 -12.39 2 4 0 66 216.24 1 ↓
Hi High (pH 8-9.5) 2.30 1.48 -38.26 1 4 -1 69 215.232 1 ↓

Analogs

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Popular Name: 5-(2,5-dimethylphenyl)pyrimidine-2,4-diol 5-(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) 1.87 3.56 -12.42 2 4 0 66 216.24 1 ↓
Hi High (pH 8-9.5) 2.33 1.59 -38.32 1 4 -1 69 215.232 1 ↓

Analogs

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Popular Name: 5-(4-ethylphenyl)pyrimidine-2,4-diol 5-(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) 1.96 3.88 -12.32 2 4 0 66 216.24 2 ↓
Hi High (pH 8-9.5) 2.42 1.93 -37.51 1 4 -1 69 215.232 2 ↓

Analogs

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Popular Name: 5-(2,4-dimethylphenyl)pyrimidine-2,4-diol 5-(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) 1.87 3.64 -12.45 2 4 0 66 216.24 1 ↓
Hi High (pH 8-9.5) 2.33 1.68 -38.29 1 4 -1 69 215.232 1 ↓

Analogs

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Popular Name: 5-(3,5-dimethylphenyl)pyrimidine-2,4-diol 5-(3,5-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) 1.87 3.76 -12.58 2 4 0 66 216.24 1 ↓
Hi High (pH 8-9.5) 2.33 1.81 -38.46 1 4 -1 69 215.232 1 ↓

Analogs

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Popular Name: 5-[2-(hydroxymethyl)phenyl]pyrimidine-2,4-diol 5-[2-(hydroxymethyl)phenyl]pyrim…

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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) 0.34 -0.21 -14.41 3 5 0 86 218.212 2 ↓
Hi High (pH 8-9.5) 0.79 -2.17 -37.62 2 5 -1 89 217.204 2 ↓

Analogs

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Popular Name: 5-[3-(hydroxymethyl)phenyl]pyrimidine-2,4-diol 5-[3-(hydroxymethyl)phenyl]pyrim…

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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 -0.25 -13.74 3 5 0 86 218.212 2 ↓
Hi High (pH 8-9.5) 0.82 -2.2 -39.42 2 5 -1 89 217.204 2 ↓

Analogs

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Popular Name: 5-[4-(hydroxymethyl)phenyl]pyrimidine-2,4-diol 5-[4-(hydroxymethyl)phenyl]pyrim…

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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) 0.38 -0.23 -15.46 3 5 0 86 218.212 2 ↓
Hi High (pH 8-9.5) 0.84 -2.18 -40.06 2 5 -1 89 217.204 2 ↓

Analogs

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Popular Name: 5-(2-methoxyphenyl)pyrimidine-2,4-diol 5-(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) 1.05 1.77 -12.65 2 5 0 75 218.212 2 ↓
Hi High (pH 8-9.5) 1.51 -0.19 -41.31 1 5 -1 78 217.204 2 ↓

Analogs

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Popular Name: 5-(2-fluoro-4-methyl-phenyl)pyrimidine-2,4-diol 5-(2-fluoro-4-methyl-phenyl)pyri…

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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) 1.58 3.15 -14.6 2 4 0 66 220.203 1 ↓
Hi High (pH 8-9.5) 2.04 1.2 -40.58 1 4 -1 69 219.195 1 ↓

Analogs

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Popular Name: 5-(2-fluoro-5-methyl-phenyl)pyrimidine-2,4-diol 5-(2-fluoro-5-methyl-phenyl)pyri…

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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) 1.58 3.14 -14.38 2 4 0 66 220.203 1 ↓
Hi High (pH 8-9.5) 2.04 1.19 -40.65 1 4 -1 69 219.195 1 ↓

Analogs

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Popular Name: 5-(3-fluoro-2-methyl-phenyl)pyrimidine-2,4-diol 5-(3-fluoro-2-methyl-phenyl)pyri…

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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) 1.56 2.92 -12.81 2 4 0 66 220.203 1 ↓
Hi High (pH 8-9.5) 2.02 0.95 -35.71 1 4 -1 69 219.195 1 ↓

Analogs

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Popular Name: 5-(3-fluoro-4-methyl-phenyl)pyrimidine-2,4-diol 5-(3-fluoro-4-methyl-phenyl)pyri…

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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) 1.58 3.14 -14.95 2 4 0 66 220.203 1 ↓
Hi High (pH 8-9.5) 2.04 1.2 -37.63 1 4 -1 69 219.195 1 ↓

Analogs

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Popular Name: 5-(4-fluoro-3-methyl-phenyl)pyrimidine-2,4-diol 5-(4-fluoro-3-methyl-phenyl)pyri…

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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) 1.58 3.13 -13.48 2 4 0 66 220.203 1 ↓
Hi High (pH 8-9.5) 2.04 1.18 -34.87 1 4 -1 69 219.195 1 ↓

Analogs

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Popular Name: 5-(5-fluoro-2-methyl-phenyl)pyrimidine-2,4-diol 5-(5-fluoro-2-methyl-phenyl)pyri…

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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) 1.58 3.04 -14.06 2 4 0 66 220.203 1 ↓
Hi High (pH 8-9.5) 2.04 1.07 -37.46 1 4 -1 69 219.195 1 ↓

Analogs

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Popular Name: 5-(3-fluoro-4-hydroxy-phenyl)pyrimidine-2,4-diol 5-(3-fluoro-4-hydroxy-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) 0.92 -0.35 -16.47 3 5 0 86 222.175 1 ↓
Hi High (pH 8-9.5) 0.92 0.42 -54.83 2 5 -1 89 221.167 1 ↓

Analogs

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Popular Name: 5-(3-fluoro-5-hydroxy-phenyl)pyrimidine-2,4-diol 5-(3-fluoro-5-hydroxy-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) 0.66 -0.35 -14.58 3 5 0 86 222.175 1 ↓
Hi High (pH 8-9.5) 1.11 -2.3 -36.09 2 5 -1 89 221.167 1 ↓

Analogs

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Popular Name: 5-(4-fluoro-2-hydroxy-phenyl)pyrimidine-2,4-diol 5-(4-fluoro-2-hydroxy-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) 0.92 -0.32 -15.9 3 5 0 86 222.175 1 ↓
Hi High (pH 8-9.5) 0.92 0.45 -49.06 2 5 -1 89 221.167 1 ↓
Hi High (pH 8-9.5) 1.37 -1.51 -100.5 1 5 -2 92 220.159 1 ↓

Analogs

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Popular Name: 5-(5-fluoro-2-hydroxy-phenyl)pyrimidine-2,4-diol 5-(5-fluoro-2-hydroxy-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) 0.92 -0.31 -12.33 3 5 0 86 222.175 1 ↓
Hi High (pH 8-9.5) 0.92 0.44 -40.61 2 5 -1 89 221.167 1 ↓
Hi High (pH 8-9.5) 1.37 -2.27 -36.87 2 5 -1 89 221.167 1 ↓

Analogs

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Popular Name: 5-(2-chlorophenyl)pyrimidine-2,4-diol 5-(2-chlorophenyl)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) 1.68 2.85 -11.42 2 4 0 66 222.631 1 ↓
Hi High (pH 8-9.5) 2.13 0.89 -37.94 1 4 -1 69 221.623 1 ↓

Analogs

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Popular Name: 5-(2,4-difluorophenyl)pyrimidine-2,4-diol 5-(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) 1.30 2.54 -14.85 2 4 0 66 224.166 1 ↓
Hi High (pH 8-9.5) 1.76 0.59 -36.87 1 4 -1 69 223.158 1 ↓

Analogs

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Popular Name: 5-(3,4-difluorophenyl)pyrimidine-2,4-diol 5-(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) 1.30 2.56 -16.38 2 4 0 66 224.166 1 ↓
Hi High (pH 8-9.5) 1.76 0.61 -35 1 4 -1 69 223.158 1 ↓

Analogs

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Popular Name: 5-(3,5-Difluorophenyl)pyrimidine-2,4(1H,3H)-dione 5-(3,5-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) 1.30 2.57 -13.31 2 4 0 66 224.166 1 ↓
Hi High (pH 8-9.5) 1.76 0.62 -33.19 1 4 -1 69 223.158 1 ↓

Analogs

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Popular Name: 5-(2,3-difluorophenyl)pyrimidine-2,4-diol 5-(2,3-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) 1.28 2.53 -17.48 2 4 0 66 224.166 1 ↓
Hi High (pH 8-9.5) 1.73 0.58 -40.83 1 4 -1 69 223.158 1 ↓

Analogs

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Popular Name: 5-(2,6-difluorophenyl)pyrimidine-2,4-diol 5-(2,6-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) 1.28 2.52 -13.99 2 4 0 66 224.166 1 ↓
Hi High (pH 8-9.5) 1.73 0.57 -42.13 1 4 -1 69 223.158 1 ↓

Analogs

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Popular Name: 5-(2,5-difluorophenyl)pyrimidine-2,4-diol 5-(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) 1.30 2.54 -12.49 2 4 0 66 224.166 1 ↓
Hi High (pH 8-9.5) 1.76 0.59 -37.19 1 4 -1 69 223.158 1 ↓

Analogs

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Popular Name: 1-[3-(2,4-dihydroxypyrimidin-5-yl)phenyl]ethanone 1-[3-(2,4-dihydroxypyrimidin-5-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) 0.92 2.91 -15.75 2 5 0 83 230.223 2 ↓
Hi High (pH 8-9.5) 1.38 0.96 -43.3 1 5 -1 86 229.215 2 ↓

Analogs

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Popular Name: 1-[4-(2,4-dihydroxypyrimidin-5-yl)phenyl]ethanone 1-[4-(2,4-dihydroxypyrimidin-5-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) 0.94 2.92 -19.15 2 5 0 83 230.223 2 ↓
Hi High (pH 8-9.5) 1.40 0.9 -40.22 1 5 -1 86 229.215 2 ↓

Analogs

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Popular Name: 3-(2,4-dihydroxypyrimidin-5-yl)-4-fluoro-benzonitrile 3-(2,4-dihydroxypyrimidin-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) 0.89 2.88 -16.27 2 5 0 90 231.186 1 ↓
Hi High (pH 8-9.5) 1.35 0.92 -38.54 1 5 -1 93 230.178 1 ↓

Analogs

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Popular Name: 3-(2,4-dihydroxypyrimidin-5-yl)-2-fluoro-benzonitrile 3-(2,4-dihydroxypyrimidin-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) 0.87 2.84 -16.27 2 5 0 90 231.186 1 ↓
Hi High (pH 8-9.5) 1.32 0.89 -39.41 1 5 -1 93 230.178 1 ↓

Analogs

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Popular Name: 3-(2,4-dihydroxypyrimidin-5-yl)benzamide 3-(2,4-dihydroxypyrimidin-5-yl)b…

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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) -0.16 -0.78 -17.26 4 6 0 109 231.211 2 ↓
Hi High (pH 8-9.5) 0.30 -2.73 -44.31 3 6 -1 112 230.203 2 ↓

Analogs

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Popular Name: 3-(2,4-dihydroxypyrimidin-5-yl)benzoic 3-(2,4-dihydroxypyrimidin-5-yl)b…

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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) 0.93 2.99 -54.04 2 6 -1 106 231.187 2 ↓
Hi High (pH 8-9.5) 1.39 1.04 -93.48 1 6 -2 109 230.179 2 ↓

Analogs

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Popular Name: 4-(2,4-dihydroxypyrimidin-5-yl)benzoic 4-(2,4-dihydroxypyrimidin-5-yl)b…

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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) 0.96 2.99 -58.26 2 6 -1 106 231.187 2 ↓
Hi High (pH 8-9.5) 1.41 1.03 -89.43 1 6 -2 109 230.179 2 ↓

Analogs

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Popular Name: 5-(2-methoxy-5-methyl-phenyl)pyrimidine-2,4-diol 5-(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) 1.48 2.44 -12.65 2 5 0 75 232.239 2 ↓
Hi High (pH 8-9.5) 1.94 0.47 -41.68 1 5 -1 78 231.231 2 ↓

Analogs

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Popular Name: 5-(4-methoxy-2-methyl-phenyl)pyrimidine-2,4-diol 5-(4-methoxy-2-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) 1.48 2.27 -13.62 2 5 0 75 232.239 2 ↓
Hi High (pH 8-9.5) 1.94 0.3 -37.88 1 5 -1 78 231.231 2 ↓

Analogs

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Popular Name: 5-(4-methoxy-3-methyl-phenyl)pyrimidine-2,4-diol 5-(4-methoxy-3-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) 1.48 2.48 -13.65 2 5 0 75 232.239 2 ↓
Hi High (pH 8-9.5) 1.94 0.52 -37.81 1 5 -1 78 231.231 2 ↓

Analogs

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Popular Name: 5-(3-ethoxyphenyl)pyrimidine-2,4-diol 5-(3-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) 1.45 2.66 -12.98 2 5 0 75 232.239 3 ↓
Hi High (pH 8-9.5) 1.91 0.71 -38.52 1 5 -1 78 231.231 3 ↓

Analogs

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Popular Name: 5-(3-nitrophenyl)pyrimidine-2,4-diol 5-(3-nitrophenyl)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) 0.98 3.14 -15.41 2 7 0 112 233.183 2 ↓
Hi High (pH 8-9.5) 1.44 1.19 -35.89 1 7 -1 115 232.175 2 ↓

Analogs

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Popular Name: 5-(2-methylsulfanylphenyl)pyrimidine-2,4-diol 5-(2-methylsulfanylphenyl)pyrimi…

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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 3.34 -12.09 2 4 0 66 234.28 2 ↓
Hi High (pH 8-9.5) 1.89 1.38 -40.74 1 4 -1 69 233.272 2 ↓

Analogs

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Popular Name: 5-(2-fluoro-3-methoxy-phenyl)pyrimidine-2,4-diol 5-(2-fluoro-3-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) 1.17 1.79 -14.54 2 5 0 75 236.202 2 ↓
Hi High (pH 8-9.5) 1.63 -0.16 -41.85 1 5 -1 78 235.194 2 ↓

Analogs

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Popular Name: 5-(2-fluoro-4-methoxy-phenyl)pyrimidine-2,4-diol 5-(2-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) 1.19 1.77 -16.01 2 5 0 75 236.202 2 ↓
Hi High (pH 8-9.5) 1.65 -0.18 -40.21 1 5 -1 78 235.194 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-fluoro-5-methoxy-phenyl)pyrimidine-2,4-diol 5-(2-fluoro-5-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) 1.19 1.76 -14.72 2 5 0 75 236.202 2 ↓
Hi High (pH 8-9.5) 1.65 -0.19 -40.98 1 5 -1 78 235.194 2 ↓

Parameters Provided:

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page.format = targets
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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 = 394713 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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