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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: 1-(2,4-dioxo1H-pyrimidine-5-carbonyl)piperidine-4-carboxylic 1-(2,4-dioxo1H-pyrimidine-5-carb…

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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) -1.93 0.37 -57.13 2 8 -1 126 266.233 2 ↓
Hi High (pH 8-9.5) -1.47 -1.41 -99.72 1 8 -2 129 265.225 2 ↓
Mid Mid (pH 6-8) -1.47 -0.76 -89.49 1 8 -2 129 265.225 2 ↓

Analogs

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Popular Name: (3R)-1-(2,4-dioxo1H-pyrimidine-5-carbonyl)piperidine-3-carboxylic (3R)-1-(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) -1.93 0.39 -56.86 2 8 -1 126 266.233 2 ↓
Hi High (pH 8-9.5) -1.47 -1.4 -114.17 1 8 -2 129 265.225 2 ↓
Mid Mid (pH 6-8) -1.47 -0.74 -99 1 8 -2 129 265.225 2 ↓

Analogs

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Popular Name: (3S)-1-(2,4-dioxo1H-pyrimidine-5-carbonyl)piperidine-3-carboxylic (3S)-1-(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) -1.93 0.31 -61.04 2 8 -1 126 266.233 2 ↓
Hi High (pH 8-9.5) -1.47 -1.47 -100.38 1 8 -2 129 265.225 2 ↓
Mid Mid (pH 6-8) -1.47 -0.82 -90.28 1 8 -2 129 265.225 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(2,4-dioxo1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic (2S)-1-(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) -3.26 1.31 -74.21 2 8 -1 126 266.233 2 ↓
Hi High (pH 8-9.5) -2.81 -0.48 -125.63 1 8 -2 129 265.225 2 ↓
Mid Mid (pH 6-8) -2.81 0.18 -111.16 1 8 -2 129 265.225 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(2,4-dioxo1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic (2R)-1-(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) -3.26 1.07 -67.63 2 8 -1 126 266.233 2 ↓
Hi High (pH 8-9.5) -2.81 -0.72 -111.93 1 8 -2 129 265.225 2 ↓
Mid Mid (pH 6-8) -2.81 -0.07 -107.62 1 8 -2 129 265.225 2 ↓

Analogs

44512737
44512737
1681619
1681619
181793
181793

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione 5-(4-aminopiperidine-1-carbonyl)…

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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) -2.68 -1.92 -63.09 5 7 1 114 239.255 1 ↓
Hi High (pH 8-9.5) -2.23 -4.66 -86.09 4 7 0 117 238.247 1 ↓
Mid Mid (pH 6-8) -2.23 -3.87 -70.64 4 7 0 117 238.247 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-methyl-piperidine-4-carboxylic 1-(2,4-dioxo-1H-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) -1.69 1.63 -65.73 2 8 -1 126 280.26 2 ↓
Mid Mid (pH 6-8) -1.23 -0.3 -96.79 1 8 -2 129 279.252 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-ethyl-piperidine-4-carboxylic 1-(2,4-dioxo-1H-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) -1.35 2.07 -64.86 2 8 -1 126 294.287 3 ↓
Mid Mid (pH 6-8) -0.89 0.15 -95.65 1 8 -2 129 293.279 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-3-methyl-piperidine-3-carboxylic (3S)-1-(2,4-dioxo-1H-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) -1.69 2.09 -63.7 2 8 -1 126 280.26 2 ↓
Mid Mid (pH 6-8) -1.23 0.14 -92.87 1 8 -2 129 279.252 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-3-methyl-piperidine-3-carboxylic (3R)-1-(2,4-dioxo-1H-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) -1.69 2.08 -63.98 2 8 -1 126 280.26 2 ↓
Mid Mid (pH 6-8) -1.23 0.15 -92.48 1 8 -2 129 279.252 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-3-ethyl-piperidine-3-carboxylic (3S)-1-(2,4-dioxo-1H-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) -1.35 2.54 -61.21 2 8 -1 126 294.287 3 ↓
Mid Mid (pH 6-8) -0.89 0.6 -90.63 1 8 -2 129 293.279 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-3-ethyl-piperidine-3-carboxylic (3R)-1-(2,4-dioxo-1H-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) -1.35 2.56 -62.41 2 8 -1 126 294.287 3 ↓
Mid Mid (pH 6-8) -0.89 0.64 -90.94 1 8 -2 129 293.279 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-(2-aminoethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione 5-[4-(2-aminoethyl)piperidine-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) -1.92 -0.56 -65.55 5 7 1 114 267.309 3 ↓
Hi High (pH 8-9.5) -1.46 -3.29 -94.82 4 7 0 117 266.301 3 ↓
Mid Mid (pH 6-8) -1.46 -2.47 -75.49 4 7 0 117 266.301 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-[2-(methylamino)ethyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione 5-[4-[2-(methylamino)ethyl]piper…

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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 1.3 -58.39 4 7 1 103 281.336 4 ↓
Mid Mid (pH 6-8) -0.48 -0.62 -67.85 3 7 0 106 280.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S)-2-[2-(methylamino)ethyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione 5-[(2S)-2-[2-(methylamino)ethyl]…

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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 1.2 -40.04 4 7 1 103 281.336 4 ↓
Mid Mid (pH 6-8) -0.54 -0.74 -44.28 3 7 0 106 280.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R)-2-[2-(methylamino)ethyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione 5-[(2R)-2-[2-(methylamino)ethyl]…

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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 1.22 -40.82 4 7 1 103 281.336 4 ↓
Mid Mid (pH 6-8) -0.54 -0.7 -45.64 3 7 0 106 280.328 4 ↓

Parameters Provided:

ring.id = 71103
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 = 71103 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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