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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: (2R)-2-methyl-1-[[(3R)-3-methylpyrrolidin-3-yl]methyl]-3,4-dihydro-2H-quinoline (2R)-2-methyl-1-[[(3R)-3-methylp…

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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) 3.41 7.26 -43 2 2 1 20 245.39 2 ↓
Lo Low (pH 4.5-6) 3.41 7.3 -96.19 3 2 2 21 246.398 2 ↓

Analogs

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Popular Name: (2S)-2-methyl-1-[[(3R)-3-methylpyrrolidin-3-yl]methyl]-3,4-dihydro-2H-quinoline (2S)-2-methyl-1-[[(3R)-3-methylp…

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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) 3.41 7.44 -43.94 2 2 1 20 245.39 2 ↓
Lo Low (pH 4.5-6) 3.41 7.18 -96.78 3 2 2 21 246.398 2 ↓

Analogs

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Popular Name: (2S)-1-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-2-methyl-3,4-dihydro-2H-quinoline (2S)-1-[[(3S)-3-ethylpyrrolidin-…

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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) 3.75 7.77 -42.5 2 2 1 20 259.417 3 ↓
Lo Low (pH 4.5-6) 3.75 7.92 -95.91 3 2 2 21 260.425 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-2-methyl-3,4-dihydro-2H-quinoline (2S)-1-[[(3R)-3-ethylpyrrolidin-…

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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) 3.75 7.81 -44.46 2 2 1 20 259.417 3 ↓
Lo Low (pH 4.5-6) 3.75 7.53 -97.91 3 2 2 21 260.425 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3S)-3-methylpyrrolidin-3-yl]methyl]-3,4-dihydro-2H-quinoline 1-[[(3S)-3-methylpyrrolidin-3-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) 3.08 7.15 -40.21 2 2 1 20 231.363 2 ↓
Lo Low (pH 4.5-6) 3.08 6.75 -98.29 3 2 2 21 232.371 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R)-3-methylpyrrolidin-3-yl]methyl]-3,4-dihydro-2H-quinoline 1-[[(3R)-3-methylpyrrolidin-3-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) 3.08 7.36 -42.72 2 2 1 20 231.363 2 ↓
Lo Low (pH 4.5-6) 3.08 7.85 -97.5 3 2 2 21 232.371 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-3,4-dihydro-2H-quinoline 1-[[(3S)-3-ethylpyrrolidin-3-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) 3.42 7.75 -43.52 2 2 1 20 245.39 3 ↓
Lo Low (pH 4.5-6) 3.42 8.26 -96.54 3 2 2 21 246.398 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-3,4-dihydro-2H-quinoline 1-[[(3R)-3-ethylpyrrolidin-3-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) 3.42 7.72 -43.44 2 2 1 20 245.39 3 ↓
Lo Low (pH 4.5-6) 3.42 7.17 -101.31 3 2 2 21 246.398 3 ↓

Analogs

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Popular Name: 1-[[(3S)-3-propylpyrrolidin-3-yl]methyl]-3,4-dihydro-2H-quinoline 1-[[(3S)-3-propylpyrrolidin-3-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) 3.98 8.52 -44.51 2 2 1 20 259.417 4 ↓
Lo Low (pH 4.5-6) 3.98 8.02 -101.83 3 2 2 21 260.425 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R)-3-propylpyrrolidin-3-yl]methyl]-3,4-dihydro-2H-quinoline 1-[[(3R)-3-propylpyrrolidin-3-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) 3.98 8.45 -44.43 2 2 1 20 259.417 4 ↓
Lo Low (pH 4.5-6) 3.98 8.93 -100.98 3 2 2 21 260.425 4 ↓

Analogs

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Popular Name: 6-methyl-1-[[(3R)-3-methylpyrrolidin-3-yl]methyl]-3,4-dihydro-2H-quinoline 6-methyl-1-[[(3R)-3-methylpyrrol…

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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) 3.51 8.09 -42.53 2 2 1 20 245.39 2 ↓
Lo Low (pH 4.5-6) 3.51 8.52 -97.77 3 2 2 21 246.398 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-1-[[(3S)-3-methylpyrrolidin-3-yl]methyl]-3,4-dihydro-2H-quinoline 6-methyl-1-[[(3S)-3-methylpyrrol…

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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) 3.51 7.82 -40.23 2 2 1 20 245.39 2 ↓
Lo Low (pH 4.5-6) 3.51 7.43 -98.68 3 2 2 21 246.398 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-6-methyl-3,4-dihydro-2H-quinoline 1-[[(3S)-3-ethylpyrrolidin-3-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) 3.84 8.42 -43.51 2 2 1 20 259.417 3 ↓
Lo Low (pH 4.5-6) 3.84 7.93 -100.67 3 2 2 21 260.425 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-6-methyl-3,4-dihydro-2H-quinoline 1-[[(3R)-3-ethylpyrrolidin-3-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) 3.84 8.39 -43.35 2 2 1 20 259.417 3 ↓
Lo Low (pH 4.5-6) 3.84 7.84 -101.74 3 2 2 21 260.425 3 ↓

Parameters Provided:

ring.id = 306449
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 = 306449 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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