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Popular Name: 3-[(4,6-dimethyl-2-oxo-pyrimidin-1-yl)methyl]benzonitrile 3-[(4,6-dimethyl-2-oxo-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) 1.71 6.34 -25.08 0 4 0 59 239.278 2 ↓

Analogs

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Popular Name: 2-[(4,6-dimethyl-2-oxo-pyrimidin-1-yl)methyl]benzenecarbothioamide 2-[(4,6-dimethyl-2-oxo-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) 1.73 4.9 -28.71 2 4 0 61 273.361 3 ↓

Analogs

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Popular Name: 3-[(4,6-dimethyl-2-oxo-pyrimidin-1-yl)methyl]benzoic 3-[(4,6-dimethyl-2-oxo-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) 1.87 5.57 -81.91 0 5 -1 75 257.269 3 ↓

Analogs

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Popular Name: 3-[(2-oxopyrimidin-1-yl)methyl]benzoic 3-[(2-oxopyrimidin-1-yl)methyl]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) 0.88 4.73 -81.73 0 5 -1 75 229.215 3 ↓

Analogs

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Popular Name: 4-[(4,6-dimethyl-2-oxo-pyrimidin-1-yl)methyl]-3-fluoro-benzonitrile 4-[(4,6-dimethyl-2-oxo-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 6.39 -25.26 0 4 0 59 257.268 2 ↓

Analogs

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Popular Name: 3-fluoro-4-[(2-oxopyrimidin-1-yl)methyl]benzonitrile 3-fluoro-4-[(2-oxopyrimidin-1-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) 0.84 5.52 -26.42 0 4 0 59 229.214 2 ↓

Analogs

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Popular Name: 3-[(4,6-dimethyl-2-oxo-pyrimidin-1-yl)methyl]-4-fluoro-benzenecarbothioamide 3-[(4,6-dimethyl-2-oxo-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) 1.87 5.12 -27.94 2 4 0 61 291.351 3 ↓

Analogs

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Popular Name: 2-[(4,6-dimethyl-2-oxo-pyrimidin-1-yl)methyl]benzonitrile 2-[(4,6-dimethyl-2-oxo-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) 1.69 5.88 -15.17 0 4 0 59 239.278 2 ↓

Analogs

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Popular Name: 1-[(3-amino-4-methoxy-phenyl)methyl]pyrimidin-2-one 1-[(3-amino-4-methoxy-phenyl)met…

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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) 0.46 2.4 -21.65 2 5 0 70 231.255 3 ↓

Analogs

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Popular Name: 1-[(2-amino-6-bromo-phenyl)methyl]pyrimidin-2-one 1-[(2-amino-6-bromo-phenyl)methy…

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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 3.66 -10.73 2 4 0 61 280.125 2 ↓

Analogs

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Popular Name: 1-[(2-chloro-5-nitro-phenyl)methyl]pyrimidin-2-one 1-[(2-chloro-5-nitro-phenyl)meth…

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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 5.93 -19.69 0 6 0 81 265.656 3 ↓

Analogs

53159928
53159928

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Popular Name: 2-[1-[(4-chlorophenyl)methyl]-4,6-dimethyl-2-oxo-pyrimidin-5-yl]acetic 2-[1-[(4-chlorophenyl)methyl]-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) 2.01 7.59 -48.78 0 5 -1 75 305.741 4 ↓

Analogs

53159928
53159928

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Popular Name: 2-[1-[(2-chlorophenyl)methyl]-4,6-dimethyl-2-oxo-pyrimidin-5-yl]acetic 2-[1-[(2-chlorophenyl)methyl]-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 7.38 -51.13 0 5 -1 75 305.741 4 ↓

Analogs

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Popular Name: 3-(1-benzyl-4,6-dimethyl-2-oxo-pyrimidin-5-yl)propanoic 3-(1-benzyl-4,6-dimethyl-2-oxo-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) 1.85 7.8 -49 0 5 -1 75 285.323 5 ↓

Analogs

53159928
53159928

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Popular Name: 2-(1-benzyl-4,6-dimethyl-2-oxo-pyrimidin-5-yl)acetic 2-(1-benzyl-4,6-dimethyl-2-oxo-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) 1.33 7.07 -50.19 0 5 -1 75 271.296 4 ↓

Analogs

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Popular Name: 2-[4,6-dimethyl-2-oxo-1-[(1S)-1-phenylethyl]pyrimidin-5-yl]acetic 2-[4,6-dimethyl-2-oxo-1-[(1S)-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) 1.70 7.35 -51.63 0 5 -1 75 285.323 4 ↓

Analogs

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Popular Name: 2-[4,6-dimethyl-2-oxo-1-[(1R)-1-phenylethyl]pyrimidin-5-yl]acetic 2-[4,6-dimethyl-2-oxo-1-[(1R)-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) 1.70 7.81 -48.9 0 5 -1 75 285.323 4 ↓

Analogs

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Popular Name: 2-[1-[(2-fluorophenyl)methyl]-4,6-dimethyl-2-oxo-pyrimidin-5-yl]acetic 2-[1-[(2-fluorophenyl)methyl]-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 7.07 -54.67 0 5 -1 75 289.286 4 ↓

Analogs

53159928
53159928

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Popular Name: 2-[4,6-dimethyl-2-oxo-1-(p-tolylmethyl)pyrimidin-5-yl]acetic 2-[4,6-dimethyl-2-oxo-1-(p-tolyl…

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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) 1.78 7.73 -49.87 0 5 -1 75 285.323 4 ↓

Analogs

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Popular Name: 2-[1-[(4-fluorophenyl)methyl]-4,6-dimethyl-2-oxo-pyrimidin-5-yl]acetic 2-[1-[(4-fluorophenyl)methyl]-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) 1.50 7.13 -49.12 0 5 -1 75 289.286 4 ↓

Analogs

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Popular Name: 2-[1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxo-pyrimidin-5-yl]acetic 2-[1-[(3-fluorophenyl)methyl]-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) 1.47 7.14 -52.43 0 5 -1 75 289.286 4 ↓

Parameters Provided:

ring.id = 46129
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 46129 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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