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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: 1-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxylic 1-[(1-ethylimidazol-2-yl)methyl]…

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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) 2.01 10.03 -71.65 1 5 0 62 285.347 4 ↓
Hi High (pH 8-9.5) 2.01 9.71 -56.72 0 5 -1 61 284.339 4 ↓

Analogs

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Popular Name: 1-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine 1-[(1-ethylimidazol-2-yl)methyl]…

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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) 1.92 7.56 -30.24 3 4 1 48 257.361 3 ↓
Hi High (pH 8-9.5) 1.92 7.28 -9.91 2 4 0 47 256.353 3 ↓
Lo Low (pH 4.5-6) 1.92 7.42 -81.98 4 4 2 50 258.369 3 ↓

Analogs

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Popular Name: (2R,4S)-1-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide (2R,4S)-1-[(5-chloro-1-methyl-im…

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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) 1.52 5.5 -15.82 2 5 0 64 318.808 3 ↓
Mid Mid (pH 6-8) 1.52 6.17 -32.5 3 5 1 65 319.816 3 ↓

Analogs

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Popular Name: (2S,4S)-1-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide (2S,4S)-1-[(5-chloro-1-methyl-im…

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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) 1.52 5.88 -14.76 2 5 0 64 318.808 3 ↓
Mid Mid (pH 6-8) 1.52 6.27 -37.73 3 5 1 65 319.816 3 ↓

Analogs

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Popular Name: (2R,4R)-1-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide (2R,4R)-1-[(5-chloro-1-methyl-im…

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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) 1.52 6.06 -12.57 2 5 0 64 318.808 3 ↓
Mid Mid (pH 6-8) 1.52 6.34 -39.21 3 5 1 65 319.816 3 ↓

Analogs

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Popular Name: (2S,4R)-1-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide (2S,4R)-1-[(5-chloro-1-methyl-im…

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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) 1.52 5.82 -13.22 2 5 0 64 318.808 3 ↓
Mid Mid (pH 6-8) 1.52 6.12 -37.26 3 5 1 65 319.816 3 ↓

Analogs

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

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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) 1.16 6.66 -31.02 3 4 1 48 243.334 2 ↓
Hi High (pH 8-9.5) 1.16 6.3 -9.95 2 4 0 47 242.326 2 ↓
Lo Low (pH 4.5-6) 1.16 6.53 -85.29 4 4 2 50 244.342 2 ↓

Analogs

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Popular Name: 1-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-amine 1-[(5-chloro-1-methyl-imidazol-2…

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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) 1.97 6.66 -8.31 2 4 0 47 276.771 2 ↓
Mid Mid (pH 6-8) 1.97 7.02 -31.96 3 4 1 48 277.779 2 ↓
Lo Low (pH 4.5-6) 1.97 6.89 -88.03 4 4 2 50 278.787 2 ↓

Analogs

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

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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) 1.54 7.44 -30.12 3 4 1 48 257.361 3 ↓
Hi High (pH 8-9.5) 1.54 7.17 -9.35 2 4 0 47 256.353 3 ↓
Lo Low (pH 4.5-6) 1.54 7.32 -84.83 4 4 2 50 258.369 3 ↓

Analogs

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Popular Name: (3R)-1-[(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (3R)-1-[(1-methylimidazol-2-yl)m…

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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 5.86 -99.83 4 4 2 50 244.342 2 ↓
Hi High (pH 8-9.5) 0.46 5.21 -8.79 2 4 0 47 242.326 2 ↓
Mid Mid (pH 6-8) 0.46 5.54 -58.21 3 4 1 49 243.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (3S)-1-[(1-methylimidazol-2-yl)m…

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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 6.03 -101.71 4 4 2 50 244.342 2 ↓
Hi High (pH 8-9.5) 0.46 5.34 -9.21 2 4 0 47 242.326 2 ↓
Mid Mid (pH 6-8) 0.46 5.66 -60.34 3 4 1 49 243.334 2 ↓

Analogs

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Popular Name: (3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,4-dihydro-2H-quinolin-3-amine (3S)-1-[[1-(difluoromethyl)imida…

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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) 1.01 5.72 -54.47 3 4 1 49 279.314 3 ↓
Hi High (pH 8-9.5) 1.01 5.41 -8.91 2 4 0 47 278.306 3 ↓
Mid Mid (pH 6-8) 1.01 6.24 -101.53 4 4 2 50 280.322 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,4-dihydro-2H-quinolin-3-amine (3R)-1-[[1-(difluoromethyl)imida…

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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) 1.01 5.47 -50.84 3 4 1 49 279.314 3 ↓
Hi High (pH 8-9.5) 1.01 5.16 -8.79 2 4 0 47 278.306 3 ↓
Mid Mid (pH 6-8) 1.01 6.49 -104.76 4 4 2 50 280.322 3 ↓

Analogs

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Popular Name: (3R)-1-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (3R)-1-[(5-chloro-1-methyl-imida…

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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) 1.26 5.9 -57.1 3 4 1 49 277.779 2 ↓
Hi High (pH 8-9.5) 1.26 5.57 -7.42 2 4 0 47 276.771 2 ↓
Mid Mid (pH 6-8) 1.26 6.22 -103.81 4 4 2 50 278.787 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (3S)-1-[(5-chloro-1-methyl-imida…

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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) 1.26 6.02 -59.67 3 4 1 49 277.779 2 ↓
Hi High (pH 8-9.5) 1.26 5.69 -7.74 2 4 0 47 276.771 2 ↓
Mid Mid (pH 6-8) 1.26 6.38 -103.2 4 4 2 50 278.787 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (3R)-1-[(1-ethylimidazol-2-yl)me…

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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) 0.83 6.78 -100.45 4 4 2 50 258.369 3 ↓
Hi High (pH 8-9.5) 0.83 6.1 -8.29 2 4 0 47 256.353 3 ↓
Hi High (pH 8-9.5) 0.83 6.42 -58.11 3 4 1 49 257.361 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (3S)-1-[(1-ethylimidazol-2-yl)me…

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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) 0.83 6.82 -99.18 4 4 2 50 258.369 3 ↓
Hi High (pH 8-9.5) 0.83 6.21 -8.63 2 4 0 47 256.353 3 ↓
Hi High (pH 8-9.5) 0.83 6.53 -60.05 3 4 1 49 257.361 3 ↓

Analogs

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Popular Name: 1-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-8-fluoro-6-methyl-3,4-dihydro-2H-quinoline 1-[(5-chloro-1-methyl-imidazol-2…

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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 9.74 -9.2 0 3 0 21 293.773 2 ↓
Mid Mid (pH 6-8) 3.43 9.87 -26.59 1 3 1 22 294.781 2 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 151569 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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