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Analogs

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Popular Name: 4-amino-5-(3,4-dimethoxyphenyl)pyrimidin-2-ol 4-amino-5-(3,4-dimethoxyphenyl)p…

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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) 0.85 0.91 -18.64 3 6 0 90 247.254 3 ↓

Analogs

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Popular Name: 5-(3-aminophenyl)pyrimidin-2-ol 5-(3-aminophenyl)pyrimidin-2-ol

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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) 0.65 0.84 -14.13 3 4 0 72 187.202 1 ↓
Hi High (pH 8-9.5) 1.11 -1.33 -49.98 2 4 -1 75 186.194 1 ↓

Analogs

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Popular Name: 5-(2-hydroxyphenyl)pyrimidin-2-ol 5-(2-hydroxyphenyl)pyrimidin-2-ol

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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) 1.33 0.15 -14.9 2 4 0 66 188.186 1 ↓
Hi High (pH 8-9.5) 1.79 -1.74 -50.21 1 4 -1 69 187.178 1 ↓
Hi High (pH 8-9.5) 1.33 0.91 -44.37 1 4 -1 69 187.178 1 ↓

Analogs

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Popular Name: 5-(3-hydroxyphenyl)pyrimidin-2-ol 5-(3-hydroxyphenyl)pyrimidin-2-ol

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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) 1.09 0.11 -16.09 2 4 0 66 188.186 1 ↓
Hi High (pH 8-9.5) 1.55 -2.05 -50.11 1 4 -1 69 187.178 1 ↓

Analogs

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Popular Name: 5-(4-Hydroxyphenyl)-2-hydroxypyrimidine 5-(4-Hydroxyphenyl)-2-hydroxypyr…

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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) 1.12 0.11 -15.77 2 4 0 66 188.186 1 ↓
Hi High (pH 8-9.5) 1.57 -2.05 -49.71 1 4 -1 69 187.178 1 ↓

Analogs

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Popular Name: 3-(2-hydroxypyrimidin-5-yl)benzonitrile 3-(2-hydroxypyrimidin-5-yl)benzo…

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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) 1.33 3.36 -19.49 1 4 0 70 197.197 1 ↓
Hi High (pH 8-9.5) 1.79 1.19 -50.67 0 4 -1 73 196.189 1 ↓

Analogs

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Popular Name: 4-(2-hydroxypyrimidin-5-yl)benzonitrile 4-(2-hydroxypyrimidin-5-yl)benzo…

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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) 1.35 3.38 -19.06 1 4 0 70 197.197 1 ↓
Hi High (pH 8-9.5) 1.81 1.19 -48.78 0 4 -1 73 196.189 1 ↓

Analogs

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Popular Name: 2-(2-hydroxypyrimidin-5-yl)benzaldehyde 2-(2-hydroxypyrimidin-5-yl)benza…

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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) 1.34 2.56 -17.68 1 4 0 63 200.197 2 ↓
Hi High (pH 8-9.5) 1.80 0.45 -48.11 0 4 -1 66 199.189 2 ↓

Analogs

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Popular Name: 3-(2-hydroxypyrimidin-5-yl)benzaldehyde 3-(2-hydroxypyrimidin-5-yl)benza…

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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) 1.36 2.69 -18.98 1 4 0 63 200.197 2 ↓
Hi High (pH 8-9.5) 1.82 0.52 -50.29 0 4 -1 66 199.189 2 ↓

Analogs

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Popular Name: 5-(3,5-dimethylphenyl)pyrimidin-2-ol 5-(3,5-dimethylphenyl)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) 2.42 4.29 -13.47 1 3 0 46 200.241 1 ↓
Hi High (pH 8-9.5) 2.88 2.11 -49.34 0 3 -1 49 199.233 1 ↓

Analogs

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Popular Name: 5-[2-(hydroxymethyl)phenyl]pyrimidin-2-ol 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) 0.89 0.32 -15.08 2 4 0 66 202.213 2 ↓
Hi High (pH 8-9.5) 1.34 -1.75 -48.26 1 4 -1 69 201.205 2 ↓

Analogs

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Popular Name: 5-[3-(hydroxymethyl)phenyl]pyrimidin-2-ol 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) 0.91 0.28 -15.78 2 4 0 66 202.213 2 ↓
Hi High (pH 8-9.5) 1.37 -1.89 -51.55 1 4 -1 69 201.205 2 ↓

Analogs

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Popular Name: 5-[4-(hydroxymethyl)phenyl]pyrimidin-2-ol 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) 0.94 0.3 -16.16 2 4 0 66 202.213 2 ↓
Hi High (pH 8-9.5) 1.39 -1.88 -51.13 1 4 -1 69 201.205 2 ↓

Analogs

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Popular Name: 5-(2-fluoro-4-methyl-phenyl)pyrimidin-2-ol 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) 2.14 3.69 -13.95 1 3 0 46 204.204 1 ↓
Hi High (pH 8-9.5) 2.60 1.68 -50.66 0 3 -1 49 203.196 1 ↓

Analogs

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Popular Name: 5-(2-fluoro-5-methyl-phenyl)pyrimidin-2-ol 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) 2.14 3.68 -13.79 1 3 0 46 204.204 1 ↓
Hi High (pH 8-9.5) 2.60 1.68 -50.62 0 3 -1 49 203.196 1 ↓

Analogs

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Popular Name: 5-(3-fluoro-2-methyl-phenyl)pyrimidin-2-ol 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) 2.11 3.53 -14.85 1 3 0 46 204.204 1 ↓
Hi High (pH 8-9.5) 2.57 1.51 -47.37 0 3 -1 49 203.196 1 ↓

Analogs

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Popular Name: 5-(3-fluoro-4-methyl-phenyl)pyrimidin-2-ol 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) 2.14 3.67 -14.84 1 3 0 46 204.204 1 ↓
Hi High (pH 8-9.5) 2.60 1.5 -48.49 0 3 -1 49 203.196 1 ↓

Analogs

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Popular Name: 5-(4-fluoro-3-methyl-phenyl)pyrimidin-2-ol 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) 2.14 3.66 -15.35 1 3 0 46 204.204 1 ↓
Hi High (pH 8-9.5) 2.60 1.49 -47.33 0 3 -1 49 203.196 1 ↓

Analogs

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Popular Name: 5-(5-fluoro-2-methyl-phenyl)pyrimidin-2-ol 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) 2.14 3.47 -14.16 1 3 0 46 204.204 1 ↓
Hi High (pH 8-9.5) 2.60 1.46 -47.89 0 3 -1 49 203.196 1 ↓

Analogs

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Popular Name: 5-(3-fluoro-4-hydroxy-phenyl)pyrimidin-2-ol 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) 1.47 0.19 -17.17 2 4 0 66 206.176 1 ↓
Mid Mid (pH 6-8) 1.47 0.95 -50.31 1 4 -1 69 205.168 1 ↓

Analogs

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Popular Name: 5-(3-fluoro-5-hydroxy-phenyl)pyrimidin-2-ol 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) 1.21 0.18 -16.21 2 4 0 66 206.176 1 ↓
Hi High (pH 8-9.5) 1.67 -1.99 -47.91 1 4 -1 69 205.168 1 ↓
Hi High (pH 8-9.5) 1.21 0.94 -46.35 1 4 -1 69 205.168 1 ↓

Analogs

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Popular Name: 5-(4-fluoro-2-hydroxy-phenyl)pyrimidin-2-ol 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) 1.47 0.22 -17.05 2 4 0 66 206.176 1 ↓
Hi High (pH 8-9.5) 1.47 0.99 -39.89 1 4 -1 69 205.168 1 ↓

Analogs

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Popular Name: 5-(5-fluoro-2-hydroxy-phenyl)pyrimidin-2-ol 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) 1.47 0.22 -15.4 2 4 0 66 206.176 1 ↓
Hi High (pH 8-9.5) 1.93 -1.67 -48.47 1 4 -1 69 205.168 1 ↓
Hi High (pH 8-9.5) 1.93 -0.92 -101.19 0 4 -2 72 204.16 1 ↓

Analogs

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Popular Name: 5-(2,4-Difluorophenyl)-2-hydroxypyrimidine 5-(2,4-Difluorophenyl)-2-hydroxy…

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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 3.08 -14.82 1 3 0 46 208.167 1 ↓
Hi High (pH 8-9.5) 2.31 1.08 -47.72 0 3 -1 49 207.159 1 ↓

Analogs

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Popular Name: 5-(3,4-Difluorophenyl)-2-hydroxypyrimidine 5-(3,4-Difluorophenyl)-2-hydroxy…

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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 3.09 -17.14 1 3 0 46 208.167 1 ↓
Hi High (pH 8-9.5) 2.31 0.91 -46.95 0 3 -1 49 207.159 1 ↓

Analogs

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Popular Name: 5-(3,5-difluorophenyl)pyrimidin-2-ol 5-(3,5-difluorophenyl)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) 1.85 3.1 -15.25 1 3 0 46 208.167 1 ↓
Hi High (pH 8-9.5) 2.31 0.94 -45.1 0 3 -1 49 207.159 1 ↓

Analogs

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Popular Name: 5-(2,3-difluorophenyl)pyrimidin-2-ol 5-(2,3-difluorophenyl)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) 1.83 3.07 -16.45 1 3 0 46 208.167 1 ↓
Hi High (pH 8-9.5) 2.29 1.06 -51.11 0 3 -1 49 207.159 1 ↓

Analogs

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Popular Name: 5-(2,6-difluorophenyl)pyrimidin-2-ol 5-(2,6-difluorophenyl)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) 1.83 3.06 -14.85 1 3 0 46 208.167 1 ↓
Hi High (pH 8-9.5) 2.29 1.13 -52.72 0 3 -1 49 207.159 1 ↓

Analogs

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Popular Name: 5-(2,5-difluorophenyl)pyrimidin-2-ol 5-(2,5-difluorophenyl)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) 1.85 3.08 -14.78 1 3 0 46 208.167 1 ↓
Hi High (pH 8-9.5) 2.31 1.08 -48.4 0 3 -1 49 207.159 1 ↓

Analogs

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Popular Name: 1-[3-(2-hydroxypyrimidin-5-yl)phenyl]ethanone 1-[3-(2-hydroxypyrimidin-5-yl)ph…

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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) 1.47 3.44 -20.01 1 4 0 63 214.224 2 ↓
Hi High (pH 8-9.5) 1.93 1.28 -56.17 0 4 -1 66 213.216 2 ↓

Analogs

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Popular Name: 1-[4-(2-hydroxypyrimidin-5-yl)phenyl]ethanone 1-[4-(2-hydroxypyrimidin-5-yl)ph…

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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) 1.50 3.39 -19.06 1 4 0 63 214.224 2 ↓
Hi High (pH 8-9.5) 1.95 1.29 -51.53 0 4 -1 66 213.216 2 ↓

Analogs

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Popular Name: 4-fluoro-3-(2-hydroxypyrimidin-5-yl)benzonitrile 4-fluoro-3-(2-hydroxypyrimidin-5…

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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 3.41 -18.14 1 4 0 70 215.187 1 ↓
Hi High (pH 8-9.5) 1.90 1.39 -50.66 0 4 -1 73 214.179 1 ↓

Analogs

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Popular Name: 2-fluoro-3-(2-hydroxypyrimidin-5-yl)benzonitrile 2-fluoro-3-(2-hydroxypyrimidin-5…

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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) 1.42 3.38 -21.79 1 4 0 70 215.187 1 ↓
Hi High (pH 8-9.5) 1.88 1.36 -53.43 0 4 -1 73 214.179 1 ↓

Analogs

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Popular Name: 3-(2-hydroxypyrimidin-5-yl)benzamide 3-(2-hydroxypyrimidin-5-yl)benza…

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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 -0.25 -21.88 3 5 0 89 215.212 2 ↓
Hi High (pH 8-9.5) 0.85 -2.42 -57.49 2 5 -1 92 214.204 2 ↓

Analogs

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Popular Name: 5-(4-methoxy-2-methyl-phenyl)pyrimidin-2-ol 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) 2.03 2.7 -14.78 1 4 0 55 216.24 2 ↓
Hi High (pH 8-9.5) 2.49 0.69 -49.04 0 4 -1 58 215.232 2 ↓

Analogs

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Popular Name: 5-(3-ethoxyphenyl)pyrimidin-2-ol 5-(3-ethoxyphenyl)pyrimidin-2-ol

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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) 2.01 3.19 -15.2 1 4 0 55 216.24 3 ↓
Hi High (pH 8-9.5) 2.46 1.02 -50.25 0 4 -1 58 215.232 3 ↓

Analogs

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Popular Name: 5-(3-nitrophenyl)pyrimidin-2-ol 5-(3-nitrophenyl)pyrimidin-2-ol

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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) 1.53 3.67 -21.07 1 6 0 92 217.184 2 ↓
Hi High (pH 8-9.5) 1.99 1.5 -50.59 0 6 -1 95 216.176 2 ↓

Analogs

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Popular Name: 5-(2-methylsulfanylphenyl)pyrimidin-2-ol 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) 1.98 3.87 -14.26 1 3 0 46 218.281 2 ↓
Hi High (pH 8-9.5) 2.44 1.79 -51.93 0 3 -1 49 217.273 2 ↓

Analogs

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Popular Name: 5-(3-methylsulfanylphenyl)pyrimidin-2-ol 5-(3-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) 2.01 3.98 -15.19 1 3 0 46 218.281 2 ↓
Hi High (pH 8-9.5) 2.46 1.81 -50.21 0 3 -1 49 217.273 2 ↓

Analogs

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Popular Name: 5-(4-methylsulfanylphenyl)pyrimidin-2-ol 5-(4-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) 2.03 3.99 -15.04 1 3 0 46 218.281 2 ↓
Hi High (pH 8-9.5) 2.49 1.81 -48.92 0 3 -1 49 217.273 2 ↓

Analogs

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Popular Name: 5-(2-fluoro-3-methoxy-phenyl)pyrimidin-2-ol 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) 1.72 2.33 -17.86 1 4 0 55 220.203 2 ↓
Hi High (pH 8-9.5) 2.18 0.31 -53.53 0 4 -1 58 219.195 2 ↓

Analogs

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Popular Name: 5-(2-fluoro-4-methoxy-phenyl)pyrimidin-2-ol 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) 1.75 2.31 -15.35 1 4 0 55 220.203 2 ↓
Hi High (pH 8-9.5) 2.20 0.31 -50.56 0 4 -1 58 219.195 2 ↓

Analogs

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Popular Name: 5-(2-fluoro-5-methoxy-phenyl)pyrimidin-2-ol 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) 1.75 2.31 -14.63 1 4 0 55 220.203 2 ↓
Hi High (pH 8-9.5) 2.20 0.3 -50.99 0 4 -1 58 219.195 2 ↓

Analogs

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Popular Name: 5-(4-fluoro-3-methoxy-phenyl)pyrimidin-2-ol 5-(4-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) 1.75 2.34 -17.82 1 4 0 55 220.203 2 ↓
Hi High (pH 8-9.5) 2.20 0.18 -48.11 0 4 -1 58 219.195 2 ↓

Analogs

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Popular Name: 5-(2-chloro-4-methyl-phenyl)pyrimidin-2-ol 5-(2-chloro-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) 2.65 4.05 -13.2 1 3 0 46 220.659 1 ↓
Hi High (pH 8-9.5) 3.11 1.98 -49.44 0 3 -1 49 219.651 1 ↓

Analogs

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Popular Name: 5-(3-Chloro-2-methylphenyl)pyrimidin-2-ol 5-(3-Chloro-2-methylphenyl)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) 2.63 3.93 -14.16 1 3 0 46 220.659 1 ↓
Hi High (pH 8-9.5) 3.08 1.9 -47.16 0 3 -1 49 219.651 1 ↓

Analogs

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Popular Name: 5-(3-chloro-4-methyl-phenyl)pyrimidin-2-ol 5-(3-chloro-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) 2.65 4.06 -14.15 1 3 0 46 220.659 1 ↓
Hi High (pH 8-9.5) 3.11 1.9 -48.16 0 3 -1 49 219.651 1 ↓

Analogs

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Popular Name: 5-(3-chloro-5-methyl-phenyl)pyrimidin-2-ol 5-(3-chloro-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) 2.65 4.13 -13.93 1 3 0 46 220.659 1 ↓
Hi High (pH 8-9.5) 3.11 1.97 -47.65 0 3 -1 49 219.651 1 ↓

Analogs

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Popular Name: 5-(4-chloro-2-methyl-phenyl)pyrimidin-2-ol 5-(4-chloro-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) 2.65 3.92 -13.93 1 3 0 46 220.659 1 ↓
Hi High (pH 8-9.5) 3.11 1.9 -46.38 0 3 -1 49 219.651 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-chloro-3-methyl-phenyl)pyrimidin-2-ol 5-(4-chloro-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) 2.65 4.06 -14.66 1 3 0 46 220.659 1 ↓
Hi High (pH 8-9.5) 3.11 1.89 -47.12 0 3 -1 49 219.651 1 ↓

Parameters Provided:

ring.id = 44607
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 = 44607 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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