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

36792540
36792540
36792541
36792541

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Popular Name: (2S)-1-(2,4-dioxo1H-pyrimidine-5-carbonyl)pyrrolidine-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) -3.77 -0.4 -50.29 2 8 -1 126 252.206 2 ↓
Hi High (pH 8-9.5) -3.31 -2.18 -115.49 1 8 -2 129 251.198 2 ↓
Mid Mid (pH 6-8) -3.31 -1.53 -106.61 1 8 -2 129 251.198 2 ↓

Analogs

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Popular Name: (2R)-1-(2,4-dioxo1H-pyrimidine-5-carbonyl)pyrrolidine-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) -3.77 0.33 -66.14 2 8 -1 126 252.206 2 ↓
Hi High (pH 8-9.5) -3.31 -1.45 -114.4 1 8 -2 129 251.198 2 ↓
Mid Mid (pH 6-8) -3.31 -0.8 -105.05 1 8 -2 129 251.198 2 ↓

Analogs

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Popular Name: (2S,4R)-1-(2,4-dioxo1H-pyrimidine-5-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic (2S,4R)-1-(2,4-dioxo1H-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) -4.52 -3.39 -71.17 3 9 -1 146 268.205 2 ↓
Hi High (pH 8-9.5) -4.20 -5.17 -121.57 2 9 -2 149 267.197 2 ↓
Mid Mid (pH 6-8) -4.20 -4.52 -110.97 2 9 -2 149 267.197 2 ↓

Analogs

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Popular Name: (2S,4S)-1-(2,4-dioxo1H-pyrimidine-5-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic (2S,4S)-1-(2,4-dioxo1H-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) -4.52 -3.4 -67.02 3 9 -1 146 268.205 2 ↓
Hi High (pH 8-9.5) -4.20 -5.19 -115.65 2 9 -2 149 267.197 2 ↓
Mid Mid (pH 6-8) -4.20 -4.54 -107.41 2 9 -2 149 267.197 2 ↓

Analogs

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Popular Name: (2R,4R)-1-(2,4-dioxo1H-pyrimidine-5-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic (2R,4R)-1-(2,4-dioxo1H-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) -4.52 -3.39 -67.22 3 9 -1 146 268.205 2 ↓
Hi High (pH 8-9.5) -4.20 -5.18 -115.87 2 9 -2 149 267.197 2 ↓
Mid Mid (pH 6-8) -4.20 -4.53 -107.54 2 9 -2 149 267.197 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-1-(2,4-dioxo1H-pyrimidine-5-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic (2R,4S)-1-(2,4-dioxo1H-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) -4.52 -3.38 -71.35 3 9 -1 146 268.205 2 ↓
Hi High (pH 8-9.5) -4.20 -5.17 -121.76 2 9 -2 149 267.197 2 ↓
Mid Mid (pH 6-8) -4.20 -4.52 -111.13 2 9 -2 149 267.197 2 ↓

Analogs

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Popular Name: (2S,4R)-1-(2,4-dioxo1H-pyrimidine-5-carbonyl)-4-methoxy-pyrrolidine-2-carboxylic (2S,4R)-1-(2,4-dioxo1H-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) -4.07 -1.04 -77.11 2 9 -1 135 282.232 3 ↓
Mid Mid (pH 6-8) -3.61 -2.18 -109.15 1 9 -2 138 281.224 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-1-(2,4-dioxo1H-pyrimidine-5-carbonyl)-4-methoxy-pyrrolidine-2-carboxylic (2S,4S)-1-(2,4-dioxo1H-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) -4.07 -0.28 -71.22 2 9 -1 135 282.232 3 ↓
Mid Mid (pH 6-8) -3.61 -1.41 -110.52 1 9 -2 138 281.224 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-1-(2,4-dioxo1H-pyrimidine-5-carbonyl)-4-methoxy-pyrrolidine-2-carboxylic (2R,4R)-1-(2,4-dioxo1H-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) -4.07 -0.66 -55.07 2 9 -1 135 282.232 3 ↓
Mid Mid (pH 6-8) -3.61 -1.79 -107.97 1 9 -2 138 281.224 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-1-(2,4-dioxo1H-pyrimidine-5-carbonyl)-4-methoxy-pyrrolidine-2-carboxylic (2R,4S)-1-(2,4-dioxo1H-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) -4.07 -0.38 -66.9 2 9 -1 135 282.232 3 ↓
Mid Mid (pH 6-8) -3.61 -1.51 -107.15 1 9 -2 138 281.224 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-3-methyl-pyrrolidine-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) -1.96 1.12 -56.84 2 8 -1 126 266.233 2 ↓
Mid Mid (pH 6-8) -1.50 -0.81 -96.21 1 8 -2 129 265.225 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-3-methyl-pyrrolidine-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) -1.96 1.15 -72.05 2 8 -1 126 266.233 2 ↓
Mid Mid (pH 6-8) -1.50 -0.76 -103.89 1 8 -2 129 265.225 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-3-ethyl-pyrrolidine-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) -1.62 1.62 -53.06 2 8 -1 126 280.26 3 ↓
Mid Mid (pH 6-8) -1.16 -0.3 -86.85 1 8 -2 129 279.252 3 ↓

Analogs

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Popular Name: (3R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-3-ethyl-pyrrolidine-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) -1.62 1.65 -71.49 2 8 -1 126 280.26 3 ↓
Mid Mid (pH 6-8) -1.16 -0.27 -103.7 1 8 -2 129 279.252 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-3-propyl-pyrrolidine-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) -1.06 2.38 -53.38 2 8 -1 126 294.287 4 ↓
Mid Mid (pH 6-8) -0.61 0.46 -87.45 1 8 -2 129 293.279 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-3-propyl-pyrrolidine-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) -1.06 2.42 -71.97 2 8 -1 126 294.287 4 ↓
Mid Mid (pH 6-8) -0.61 0.5 -104.34 1 8 -2 129 293.279 4 ↓

Analogs

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Popular Name: 2-[(2R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(2,4-dioxo-1H-pyrimidi…

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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) -2.04 2.58 -68.13 2 8 -1 126 266.233 3 ↓
Hi High (pH 8-9.5) -1.59 -1.23 -106.5 1 8 -2 129 265.225 3 ↓
Mid Mid (pH 6-8) -1.59 0.71 -112.91 1 8 -2 129 265.225 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(2,4-dioxo-1H-pyrimidi…

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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) -2.04 1.24 -56.3 2 8 -1 126 266.233 3 ↓
Hi High (pH 8-9.5) -1.59 -0.02 -128.38 1 8 -2 129 265.225 3 ↓
Mid Mid (pH 6-8) -1.59 0.57 -111.91 1 8 -2 129 265.225 3 ↓

Analogs

42433342
42433342

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Popular Name: 5-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione 5-[(2R)-2-(hydroxymethyl)pyrroli…

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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) -2.19 -0.83 -23 3 7 0 106 239.231 2 ↓
Hi High (pH 8-9.5) -1.73 -3.56 -63.63 2 7 -1 109 238.223 2 ↓
Mid Mid (pH 6-8) -1.73 -2.75 -45.55 2 7 -1 109 238.223 2 ↓

Analogs

42433341
42433341

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Popular Name: 5-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione 5-[(2S)-2-(hydroxymethyl)pyrroli…

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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) -2.19 -0.79 -22.31 3 7 0 106 239.231 2 ↓
Hi High (pH 8-9.5) -1.73 -3.52 -62.83 2 7 -1 109 238.223 2 ↓
Mid Mid (pH 6-8) -1.73 -2.7 -45.14 2 7 -1 109 238.223 2 ↓

Parameters Provided:

ring.id = 71106
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 = 71106 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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