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

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Popular Name: (3S)-1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(2,3-dihydro-1,4-dioxine-…

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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) -0.23 3.9 -45.88 0 6 -1 79 240.235 2 ↓

Analogs

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Popular Name: (3R)-1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(2,3-dihydro-1,4-dioxine-…

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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) -0.23 4.02 -49.38 0 6 -1 79 240.235 2 ↓

Analogs

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Popular Name: (3S)-1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(2,3-dihydro-1,4-dioxine-…

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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 4.47 -45.11 0 6 -1 79 254.262 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(2,3-dihydro-1,4-dioxine-…

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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 4.5 -48.88 0 6 -1 79 254.262 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(2,3-dihydro-1,4-dioxine-…

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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) 0.67 5.24 -45.47 0 6 -1 79 268.289 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(2,3-dihydro-1,4-dioxine-…

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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) 0.67 5.28 -49.18 0 6 -1 79 268.289 4 ↓

Analogs

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Popular Name: 2-[(2R)-1-(2,3-dihydro-1,4-dioxine-5-carbonyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(2,3-dihydro-1,4-dioxi…

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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) -0.31 5.04 -68.55 0 6 -1 79 240.235 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-(2,3-dihydro-1,4-dioxine-5-carbonyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(2,3-dihydro-1,4-dioxi…

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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) -0.31 4.25 -67.8 0 6 -1 79 240.235 3 ↓

Analogs

42433348
42433348

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Popular Name: 2,3-dihydro-1,4-dioxin-5-yl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone 2,3-dihydro-1,4-dioxin-5-yl-[(2R…

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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 2.03 -10.63 1 5 0 59 213.233 2 ↓

Analogs

42433347
42433347

Draw Identity 99% 90% 80% 70%

Popular Name: 2,3-dihydro-1,4-dioxin-5-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone 2,3-dihydro-1,4-dioxin-5-yl-[(2S…

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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 1.93 -10.96 1 5 0 59 213.233 2 ↓

Parameters Provided:

ring.id = 307151
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 = 307151 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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