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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: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone 2-[4-(2,2-difluoroethyl)piperazi…

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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) 2.69 6.07 -12.92 0 4 0 27 337.414 4 ↓
Lo Low (pH 4.5-6) 2.69 8.17 -40.33 1 4 1 28 338.422 4 ↓

Analogs

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Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone 2-[4-(2,2-difluoroethyl)piperazi…

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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) 2.69 6.15 -13.21 0 4 0 27 337.414 4 ↓
Lo Low (pH 4.5-6) 2.69 8.27 -40.69 1 4 1 28 338.422 4 ↓

Analogs

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Popular Name: 1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]piperazin-1-yl]-2-[isopropyl(methyl)amino]ethanon 1-[4-[2-(3,4-dihydro-2H-quinolin…

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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) 1.82 8.7 -45.17 1 6 1 48 373.521 5 ↓
Hi High (pH 8-9.5) 1.82 6.48 -16.45 0 6 0 47 372.513 5 ↓

Analogs

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Popular Name: 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]piperazin-1-yl]-N-(1,1-dimethylpropyl)acetamide 2-[4-[2-(3,4-dihydro-2H-quinolin…

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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) 3.09 5.81 -12.61 1 6 0 56 386.54 6 ↓
Lo Low (pH 4.5-6) 3.09 8.01 -41.34 2 6 1 57 387.548 6 ↓

Analogs

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Popular Name: N-(cyanomethyl)-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]piperazin-1-yl]acetamide N-(cyanomethyl)-2-[4-[2-(3,4-dih…

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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 3.85 -15.66 1 7 0 80 355.442 5 ↓

Analogs

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Popular Name: 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]piperazin-1-yl]-N-[(1R)-1,2-dimethylpropyl]acetam 2-[4-[2-(3,4-dihydro-2H-quinolin…

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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) 2.85 6.32 -13.39 1 6 0 56 386.54 6 ↓
Lo Low (pH 4.5-6) 2.85 8.22 -42.07 2 6 1 57 387.548 6 ↓

Analogs

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Popular Name: 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]piperazin-1-yl]-N-[(1S)-1,2-dimethylpropyl]acetam 2-[4-[2-(3,4-dihydro-2H-quinolin…

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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) 2.85 6.05 -13.23 1 6 0 56 386.54 6 ↓
Lo Low (pH 4.5-6) 2.85 8.52 -42.19 2 6 1 57 387.548 6 ↓

Analogs

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Popular Name: (2S)-N-tert-butyl-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]piperazin-1-yl]propanamide (2S)-N-tert-butyl-2-[4-[2-(3,4-d…

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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) 2.42 5.76 -15.68 1 6 0 56 386.54 5 ↓
Lo Low (pH 4.5-6) 2.42 8.02 -38.56 2 6 1 57 387.548 5 ↓

Analogs

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Popular Name: (2R)-N-tert-butyl-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]piperazin-1-yl]propanamide (2R)-N-tert-butyl-2-[4-[2-(3,4-d…

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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) 2.42 5.66 -12.41 1 6 0 56 386.54 5 ↓
Lo Low (pH 4.5-6) 2.42 8.02 -40.85 2 6 1 57 387.548 5 ↓

Analogs

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Popular Name: 2-(4-butylsulfonylpiperazin-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone 2-(4-butylsulfonylpiperazin-1-yl…

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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) 2.61 6.13 -15.29 0 6 0 61 379.526 6 ↓

Analogs

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Popular Name: N-butyl-4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]piperazine-1-carboxamide N-butyl-4-[2-(3,4-dihydro-2H-qui…

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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) 3.43 7.44 -16.92 1 6 0 56 358.486 5 ↓

Analogs

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Popular Name: 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-N-(3-ethoxypropyl)piperazine-1-carboxamide 4-[2-(3,4-dihydro-2H-quinolin-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) 2.63 6.7 -17.19 1 7 0 65 388.512 7 ↓

Analogs

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Popular Name: 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-N-[(1R)-1,2-dimethylpropyl]piperazine-1-carboxamide 4-[2-(3,4-dihydro-2H-quinolin-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) 3.45 8.19 -13.88 1 6 0 56 372.513 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-N-[(1S)-1,2-dimethylpropyl]piperazine-1-carboxamide 4-[2-(3,4-dihydro-2H-quinolin-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) 3.45 7.93 -16.7 1 6 0 56 372.513 4 ↓

Analogs

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Popular Name: 2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone 2-[4-[(2S)-2-hydroxypropyl]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) 1.56 2.13 -12.42 1 6 0 56 347.459 5 ↓
Mid Mid (pH 6-8) 1.56 4.46 -41.51 2 6 1 57 348.467 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone 2-[4-[(2R)-2-hydroxypropyl]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) 1.56 2.32 -11.94 1 6 0 56 347.459 5 ↓
Mid Mid (pH 6-8) 1.56 4.61 -42.55 2 6 1 57 348.467 5 ↓

Analogs

48708814
48708814
48719642
48719642
48721512
48721512
48757473
48757473
57363848
57363848

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Popular Name: 1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-piperazin-1-yl-ethanone 1-(8-methoxy-3,4-dihydro-2H-quin…

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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) 1.21 5.63 -43.89 2 5 1 49 290.387 3 ↓
Hi High (pH 8-9.5) 1.21 4.27 -9.74 1 5 0 45 289.379 3 ↓

Parameters Provided:

ring.id = 173641
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 = 173641 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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