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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,4-dioxo1H-pyrimidine-5-carbonyl)amino]benzoic 2-[(2,4-dioxo1H-pyrimidine-5-car…

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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 0.94 -65.25 3 8 -1 135 274.212 3 ↓
Hi High (pH 8-9.5) 0.48 -0.85 -118.33 2 8 -2 138 273.204 3 ↓

Analogs

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Popular Name: 5-[(2,4-dioxo1H-pyrimidine-5-carbonyl)amino]-2-hydroxy-benzoic 5-[(2,4-dioxo1H-pyrimidine-5-car…

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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) -0.12 -1.22 -56.05 4 9 -1 155 290.211 3 ↓
Hi High (pH 8-9.5) 0.34 -3.01 -96.21 3 9 -2 158 289.203 3 ↓

Analogs

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Popular Name: 4-[(2,4-dioxo1H-pyrimidine-5-carbonyl)amino]benzoic 4-[(2,4-dioxo1H-pyrimidine-5-car…

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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) -0.11 0.59 -61.76 3 8 -1 135 274.212 3 ↓
Hi High (pH 8-9.5) 0.34 -1.2 -94.87 2 8 -2 138 273.204 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,4-dioxo1H-pyrimidine-5-carbonyl)-methyl-amino]benzoic 2-[(2,4-dioxo1H-pyrimidine-5-car…

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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) 0.26 2.46 -60.63 2 8 -1 126 288.239 3 ↓
Mid Mid (pH 6-8) 0.72 1.33 -106.75 1 8 -2 129 287.231 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2,4-dioxo1H-pyrimidine-5-carbonyl)amino]-4-methyl-benzoic 3-[(2,4-dioxo1H-pyrimidine-5-car…

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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) 0.26 1.43 -66.85 3 8 -1 135 288.239 3 ↓
Hi High (pH 8-9.5) 0.72 -0.36 -103.92 2 8 -2 138 287.231 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2,4-dioxo1H-pyrimidine-5-carbonyl)amino]-2-hydroxy-benzoic 4-[(2,4-dioxo1H-pyrimidine-5-car…

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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) -0.12 -1.35 -71.04 4 9 -1 155 290.211 3 ↓
Hi High (pH 8-9.5) 0.34 -3.14 -103.5 3 9 -2 158 289.203 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2,4-dioxo1H-pyrimidine-5-carbonyl)amino]-3-methyl-benzoic 4-[(2,4-dioxo1H-pyrimidine-5-car…

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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) 0.26 1.4 -63.05 3 8 -1 135 288.239 3 ↓
Hi High (pH 8-9.5) 0.72 -0.39 -95.83 2 8 -2 138 287.231 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2,4-dioxo1H-pyrimidine-5-carbonyl)amino]benzoic 3-[(2,4-dioxo1H-pyrimidine-5-car…

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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) -0.14 0.6 -61.45 3 8 -1 135 274.212 3 ↓
Hi High (pH 8-9.5) 0.32 -1.19 -99.43 2 8 -2 138 273.204 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(2,4-dioxo1H-pyrimidine-5-carbonyl)amino]phenyl]acetic 2-[4-[(2,4-dioxo1H-pyrimidine-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) -0.60 1.39 -59.79 3 8 -1 135 288.239 4 ↓
Hi High (pH 8-9.5) -0.14 -0.4 -95.79 2 8 -2 138 287.231 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,4-dioxo1H-pyrimidine-5-carbonyl)amino]-4-fluoro-benzoic 2-[(2,4-dioxo1H-pyrimidine-5-car…

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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 1.01 -57.84 3 8 -1 135 292.202 3 ↓
Hi High (pH 8-9.5) 0.62 -0.78 -110 2 8 -2 138 291.194 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,4-dioxo1H-pyrimidine-5-carbonyl)amino]-5-methyl-benzoic 2-[(2,4-dioxo1H-pyrimidine-5-car…

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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) 0.44 1.55 -65.21 3 8 -1 135 288.239 3 ↓
Hi High (pH 8-9.5) 0.90 -0.24 -118.53 2 8 -2 138 287.231 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,4-dioxo1H-pyrimidine-5-carbonyl)amino]-5-fluoro-benzoic 2-[(2,4-dioxo1H-pyrimidine-5-car…

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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 0.95 -60.2 3 8 -1 135 292.202 3 ↓
Hi High (pH 8-9.5) 0.62 -0.84 -110.46 2 8 -2 138 291.194 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-5-iodo-benzoic 2-[(2,4-dioxo-1H-pyrimidine-5-ca…

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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) 1.08 3.05 -56.35 3 8 -1 135 400.108 3 ↓
Hi High (pH 8-9.5) 1.53 0.47 -111.18 2 8 -2 138 399.1 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic 3-bromo-2-[(2,4-dioxo-1H-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) 0.78 2.66 -57.32 3 8 -1 135 353.108 3 ↓
Hi High (pH 8-9.5) 1.24 0.09 -114.18 2 8 -2 138 352.1 3 ↓

Analogs

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Popular Name: N-[3-(2-aminoethoxy)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide N-[3-(2-aminoethoxy)phenyl]-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) -1.19 -1.24 -52.58 6 8 1 132 291.287 5 ↓
Hi High (pH 8-9.5) -0.73 -3.16 -65.36 5 8 0 135 290.279 5 ↓
Hi High (pH 8-9.5) -0.73 -3.6 -36.2 4 8 -1 133 289.271 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-fluoro-benzoic 4-[(2,4-dioxo-1H-pyrimidine-5-ca…

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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 1.72 -54.17 3 8 -1 135 292.202 3 ↓
Hi High (pH 8-9.5) 0.43 -0.85 -91.43 2 8 -2 138 291.194 3 ↓

Analogs

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Popular Name: 2,4,6-trioxo-N-(p-tolyl)hexahydropyrimidine-5-carboxamide 2,4,6-trioxo-N-(p-tolyl)hexahydr…

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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) 0.49 1.24 -36.61 3 7 -1 118 260.229 2 ↓

Analogs

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Popular Name: N-(4-amino-3-methoxy-phenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide N-(4-amino-3-methoxy-phenyl)-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) -0.56 -1.66 -13.31 5 8 0 130 276.252 3 ↓
Hi High (pH 8-9.5) -0.10 -4.21 -43.55 4 8 -1 133 275.244 3 ↓

Analogs

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Popular Name: N-(3-ethynylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide N-(3-ethynylphenyl)-2,4-dioxo-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) -0.29 2.25 -13.48 3 6 0 95 255.233 2 ↓

Analogs

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Popular Name: N-[2-[(1S)-1-hydroxyethyl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide N-[2-[(1S)-1-hydroxyethyl]phenyl…

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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) -0.51 -0.59 -13.13 4 7 0 115 275.264 3 ↓
Hi High (pH 8-9.5) -0.05 -3.15 -42.66 3 7 -1 118 274.256 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(1R)-1-hydroxyethyl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide N-[2-[(1R)-1-hydroxyethyl]phenyl…

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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) -0.51 -0.53 -13.31 4 7 0 115 275.264 3 ↓
Hi High (pH 8-9.5) -0.05 -3.1 -42.7 3 7 -1 118 274.256 3 ↓

Analogs

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Popular Name: N-(5-bromo-2-methoxy-phenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide N-(5-bromo-2-methoxy-phenyl)-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) 0.77 1.08 -13.47 3 7 0 104 340.133 3 ↓
Hi High (pH 8-9.5) 1.23 -1.48 -44.87 2 7 -1 107 339.125 3 ↓

Parameters Provided:

ring.id = 71090
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 = 71090 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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