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

43399536
43399536

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-hydroxy-pyridine-3-carboxamidine 2-(3,4-dihydro-2H-quinolin-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) 1.61 5.82 -12.34 3 5 0 75 268.32 2 ↓
Lo Low (pH 4.5-6) 1.61 6.25 -39.42 4 5 1 76 269.328 2 ↓

Analogs

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Popular Name: 6-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamidine 6-(3,4-dihydro-2H-quinolin-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) 1.74 5.94 -41.52 4 4 1 68 253.329 2 ↓

Analogs

43399536
43399536

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Popular Name: N'-hydroxy-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamidine N'-hydroxy-2-(6-methyl-3,4-dihyd…

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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 6.47 -12.42 3 5 0 75 282.347 2 ↓
Lo Low (pH 4.5-6) 2.04 6.91 -38.89 4 5 1 76 283.355 2 ↓

Analogs

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Popular Name: 5-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxylic 5-chloro-6-(6-methyl-3,4-dihydro…

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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) 3.96 9.15 -45.03 0 4 -1 56 301.753 2 ↓
Lo Low (pH 4.5-6) 3.96 9.59 -35.96 1 4 0 58 302.761 2 ↓

Analogs

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Popular Name: 3-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxylic 3-chloro-6-(6-methyl-3,4-dihydro…

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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) 4.43 8.79 -57.24 0 4 -1 56 301.753 2 ↓
Lo Low (pH 4.5-6) 4.43 9.24 -30.32 1 4 0 58 302.761 2 ↓

Analogs

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Popular Name: 6-methyl-1-(5-nitro-2-pyridyl)-3,4-dihydro-2H-quinoline 6-methyl-1-(5-nitro-2-pyridyl)-3…

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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) 3.90 9.48 -6.65 0 5 0 62 269.304 2 ↓

Analogs

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Popular Name: 6-(3,4-dihydro-2H-quinolin-1-yl)-2-propoxy-pyridin-3-amine 6-(3,4-dihydro-2H-quinolin-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) 4.06 6.37 -7.04 2 4 0 51 283.375 4 ↓

Analogs

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Popular Name: 6-(3,4-dihydro-2H-quinolin-1-yl)-2-isopropoxy-pyridin-3-amine 6-(3,4-dihydro-2H-quinolin-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) 3.92 6.48 -6.81 2 4 0 51 283.375 3 ↓

Analogs

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Popular Name: 6-(3,4-dihydro-2H-quinolin-1-yl)-2-ethoxy-pyridin-3-amine 6-(3,4-dihydro-2H-quinolin-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) 3.56 5.57 -7.1 2 4 0 51 269.348 3 ↓

Analogs

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Popular Name: 6-(3,4-dihydro-2H-quinolin-1-yl)-2-methoxy-pyridin-3-amine 6-(3,4-dihydro-2H-quinolin-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) 3.18 4.62 -7.23 2 4 0 51 255.321 2 ↓

Analogs

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Popular Name: 2-ethoxy-6-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]pyridin-3-amine 2-ethoxy-6-[(2S)-2-methyl-3,4-di…

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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) 3.89 6.11 -6.95 2 4 0 51 283.375 3 ↓

Analogs

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Popular Name: 2-ethoxy-6-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]pyridin-3-amine 2-ethoxy-6-[(2R)-2-methyl-3,4-di…

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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) 3.89 5.7 -7 2 4 0 51 283.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-6-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]pyridin-3-amine 2-methoxy-6-[(2R)-2-methyl-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) 3.51 4.81 -6.98 2 4 0 51 269.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-6-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]pyridin-3-amine 2-methoxy-6-[(2S)-2-methyl-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) 3.51 5.18 -7.03 2 4 0 51 269.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridin-3-amine 2-ethoxy-6-(6-methyl-3,4-dihydro…

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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 6.24 -7.19 2 4 0 51 283.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridin-3-amine 2-methoxy-6-(6-methyl-3,4-dihydr…

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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) 3.61 5.3 -7.26 2 4 0 51 269.348 2 ↓

Analogs

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Popular Name: (2R)-1-(6-bromo-2-pyridyl)-2-methyl-3,4-dihydro-2H-quinoline (2R)-1-(6-bromo-2-pyridyl)-2-met…

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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) 4.83 8.81 -6.97 0 2 0 16 303.203 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(6-bromo-2-pyridyl)-2-methyl-3,4-dihydro-2H-quinoline (2S)-1-(6-bromo-2-pyridyl)-2-met…

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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) 4.83 9.21 -6.92 0 2 0 16 303.203 1 ↓

Analogs

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Popular Name: 1-(6-bromo-2-pyridyl)-6-methyl-3,4-dihydro-2H-quinoline 1-(6-bromo-2-pyridyl)-6-methyl-3…

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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) 4.92 9.33 -7.05 0 2 0 16 303.203 1 ↓

Analogs

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Popular Name: 1-(6-bromo-2-pyridyl)-3,4-dihydro-2H-quinoline 1-(6-bromo-2-pyridyl)-3,4-dihydr…

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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) 4.50 8.66 -7.07 0 2 0 16 289.176 1 ↓

Analogs

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Popular Name: (3R)-1-(6-bromo-2-pyridyl)-3-methyl-3,4-dihydro-2H-quinoline (3R)-1-(6-bromo-2-pyridyl)-3-met…

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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) 4.73 9.24 -6.75 0 2 0 16 303.203 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(6-bromo-2-pyridyl)-3-methyl-3,4-dihydro-2H-quinoline (3S)-1-(6-bromo-2-pyridyl)-3-met…

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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) 4.73 9.24 -6.73 0 2 0 16 303.203 1 ↓

Analogs

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Popular Name: 1-(6-chloro-3-nitro-2-pyridyl)-6-methyl-3,4-dihydro-2H-quinoline 1-(6-chloro-3-nitro-2-pyridyl)-6…

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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) 4.70 10.32 -8.61 0 5 0 62 303.749 2 ↓

Analogs

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Popular Name: 5-amino-2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide 5-amino-2-(3,4-dihydro-2H-quinol…

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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) 1.75 3.38 -13.51 4 5 0 85 268.32 2 ↓
Mid Mid (pH 6-8) 1.75 3.84 -37.44 5 5 1 86 269.328 2 ↓

Analogs

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Popular Name: 5-amino-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]pyridine-3-carboxamide 5-amino-2-[(2R)-2-methyl-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) 2.08 3.43 -13.17 4 5 0 85 282.347 2 ↓
Mid Mid (pH 6-8) 2.08 3.9 -37.02 5 5 1 86 283.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]pyridine-3-carboxamide 5-amino-2-[(2S)-2-methyl-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) 2.08 3.77 -12.17 4 5 0 85 282.347 2 ↓
Mid Mid (pH 6-8) 2.08 4.23 -36.8 5 5 1 86 283.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide 5-amino-2-(6-methyl-3,4-dihydro-…

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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) 2.17 4.05 -13.55 4 5 0 85 282.347 2 ↓
Mid Mid (pH 6-8) 2.17 4.51 -37.41 5 5 1 86 283.355 2 ↓

Parameters Provided:

ring.id = 4158
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 4158 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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