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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11982457
11982457

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Popular Name: (8S)-8-(aminomethyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (8S)-8-(aminomethyl)-3,6,8,9-tet…

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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 0.79 -45.91 4 5 1 75 235.263 1 ↓

Analogs

11982451
11982451

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Popular Name: (8R)-8-(aminomethyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (8R)-8-(aminomethyl)-3,6,8,9-tet…

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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 1.04 -44.9 4 5 1 75 235.263 1 ↓

Analogs

11982935
11982935

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Popular Name: (8S)-8-(2-aminoethyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (8S)-8-(2-aminoethyl)-3,6,8,9-te…

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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) 0.04 1.31 -47.24 4 5 1 75 249.29 2 ↓

Analogs

11982934
11982934

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Popular Name: (8R)-8-(2-aminoethyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (8R)-8-(2-aminoethyl)-3,6,8,9-te…

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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) 0.04 1.45 -53.3 4 5 1 75 249.29 2 ↓

Analogs

11983479
11983479

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Popular Name: (8R)-8-(3-aminopropyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (8R)-8-(3-aminopropyl)-3,6,8,9-t…

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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 -4.33 -46.23 4 5 1 75 263.317 3 ↓

Analogs

11983471
11983471

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Popular Name: (8S)-8-(3-aminopropyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (8S)-8-(3-aminopropyl)-3,6,8,9-t…

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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 -4.24 -52.76 4 5 1 75 263.317 3 ↓

Analogs

11983876
11983876

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Popular Name: (8R)-7-oxo-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile (8R)-7-oxo-3,6,8,9-tetrahydro-2H…

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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) 0.75 3.06 -12.57 1 5 0 71 230.223 0 ↓

Analogs

11983871
11983871

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Popular Name: (8S)-7-oxo-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile (8S)-7-oxo-3,6,8,9-tetrahydro-2H…

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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) 0.75 2.97 -12.67 1 5 0 71 230.223 0 ↓

Analogs

11984307
11984307

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Popular Name: 2-[(8R)-7-oxo-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl]acetonitrile 2-[(8R)-7-oxo-3,6,8,9-tetrahydro…

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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) 0.42 3.79 -17.4 1 5 0 71 244.25 1 ↓

Analogs

11984303
11984303

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Popular Name: 2-[(8S)-7-oxo-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl]acetonitrile 2-[(8S)-7-oxo-3,6,8,9-tetrahydro…

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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) 0.42 3.82 -17.03 1 5 0 71 244.25 1 ↓

Analogs

11984561
11984561

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Popular Name: 3-[(8S)-7-oxo-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl]propanenitrile 3-[(8S)-7-oxo-3,6,8,9-tetrahydro…

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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) 0.69 0.22 -16.52 1 5 0 71 258.277 2 ↓

Analogs

11984558
11984558

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Popular Name: 3-[(8R)-7-oxo-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl]propanenitrile 3-[(8R)-7-oxo-3,6,8,9-tetrahydro…

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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) 0.69 0.13 -12.87 1 5 0 71 258.277 2 ↓

Analogs

11984803
11984803

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Popular Name: 3-[(8R)-7-oxo-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl]propanoic 3-[(8R)-7-oxo-3,6,8,9-tetrahydro…

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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) 0.75 -1.63 -53.59 1 6 -1 88 276.268 3 ↓

Analogs

11984800
11984800

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Popular Name: 3-[(8S)-7-oxo-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl]propanoic 3-[(8S)-7-oxo-3,6,8,9-tetrahydro…

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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) 0.75 -1.54 -53.27 1 6 -1 88 276.268 3 ↓

Analogs

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Popular Name: (9R)-9-quinoxalin-2-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (9R)-9-quinoxalin-2-yl-3,6,8,9-t…

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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) 2.28 4.54 -13.76 1 6 0 73 333.347 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9S)-9-quinoxalin-2-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (9S)-9-quinoxalin-2-yl-3,6,8,9-t…

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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) 2.28 4.54 -13.78 1 6 0 73 333.347 1 ↓

Parameters Provided:

ring.id = 64588
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 = 64588 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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