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Analogs

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Popular Name: N-(2-imidazol-1-yl-8-quinolyl)pent-4-enamide N-(2-imidazol-1-yl-8-quinolyl)pe…

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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) 2.59 9.54 -13.05 1 5 0 60 292.342 5 ↓
Lo Low (pH 4.5-6) 2.59 10.09 -40.08 2 5 1 61 293.35 5 ↓

Analogs

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Popular Name: N-(2-imidazol-1-yl-8-quinolyl)acetamide N-(2-imidazol-1-yl-8-quinolyl)ac…

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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 7.4 -13.91 1 5 0 60 252.277 2 ↓
Lo Low (pH 4.5-6) 1.21 7.95 -40.42 2 5 1 61 253.285 2 ↓

Analogs

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Popular Name: N-(2-imidazol-1-yl-8-quinolyl)butanamide N-(2-imidazol-1-yl-8-quinolyl)bu…

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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 8.98 -13.24 1 5 0 60 280.331 4 ↓
Lo Low (pH 4.5-6) 2.61 9.53 -40.07 2 5 1 61 281.339 4 ↓

Analogs

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Popular Name: N-(2-imidazol-1-yl-8-quinolyl)propanamide N-(2-imidazol-1-yl-8-quinolyl)pr…

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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) 2.05 8.21 -13.49 1 5 0 60 266.304 3 ↓
Lo Low (pH 4.5-6) 2.05 8.76 -40.2 2 5 1 61 267.312 3 ↓

Analogs

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Popular Name: N-(2-imidazol-1-yl-8-quinolyl)-2-methyl-propanamide N-(2-imidazol-1-yl-8-quinolyl)-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) 2.29 8.86 -13.11 1 5 0 60 280.331 3 ↓
Lo Low (pH 4.5-6) 2.29 9.41 -39.9 2 5 1 61 281.339 3 ↓

Analogs

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Popular Name: N-(2-imidazol-1-yl-8-quinolyl)pentanamide N-(2-imidazol-1-yl-8-quinolyl)pe…

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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) 3.11 9.76 -13.23 1 5 0 60 294.358 5 ↓
Lo Low (pH 4.5-6) 3.11 10.31 -40.16 2 5 1 61 295.366 5 ↓

Analogs

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Popular Name: N-(2-imidazol-1-yl-8-quinolyl)-3-methyl-butanamide N-(2-imidazol-1-yl-8-quinolyl)-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) 2.82 9.56 -12.75 1 5 0 60 294.358 4 ↓
Lo Low (pH 4.5-6) 2.82 10.14 -39.33 2 5 1 61 295.366 4 ↓

Analogs

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Popular Name: N-(2-imidazol-1-yl-8-quinolyl)-3,3-dimethyl-butanamide N-(2-imidazol-1-yl-8-quinolyl)-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) 3.14 10.09 -11.86 1 5 0 60 308.385 4 ↓
Lo Low (pH 4.5-6) 3.14 10.64 -38.59 2 5 1 61 309.393 4 ↓

Analogs

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Popular Name: 2-ethyl-N-(2-imidazol-1-yl-8-quinolyl)butanamide 2-ethyl-N-(2-imidazol-1-yl-8-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) 3.30 10.22 -12.5 1 5 0 60 308.385 5 ↓
Lo Low (pH 4.5-6) 3.30 10.77 -39.01 2 5 1 61 309.393 5 ↓

Analogs

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Popular Name: N-(2-imidazol-1-yl-8-quinolyl)-2-propyl-pentanamide N-(2-imidazol-1-yl-8-quinolyl)-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) 4.42 11.47 -12.84 1 5 0 60 336.439 7 ↓
Lo Low (pH 4.5-6) 4.42 12.31 -39.05 2 5 1 61 337.447 7 ↓

Analogs

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Popular Name: N-(2-imidazol-1-yl-8-quinolyl)-2-methoxy-acetamide N-(2-imidazol-1-yl-8-quinolyl)-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) 1.15 7.48 -16.07 1 6 0 69 282.303 4 ↓
Lo Low (pH 4.5-6) 1.15 8.03 -43.41 2 6 1 70 283.311 4 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.41 8.83 -13.45 1 7 0 86 310.313 5 ↓
Lo Low (pH 4.5-6) 1.41 9.38 -36.89 2 7 1 87 311.321 5 ↓

Analogs

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Popular Name: 2-chloro-N-(2-imidazol-1-yl-8-quinolyl)acetamide 2-chloro-N-(2-imidazol-1-yl-8-qu…

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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) 1.78 8.05 -14.38 1 5 0 60 286.722 3 ↓
Lo Low (pH 4.5-6) 1.78 8.6 -42.37 2 5 1 61 287.73 3 ↓

Analogs

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Popular Name: 3-chloro-N-(2-imidazol-1-yl-8-quinolyl)propanamide 3-chloro-N-(2-imidazol-1-yl-8-qu…

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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) 2.05 8.85 -12.44 1 5 0 60 300.749 4 ↓
Lo Low (pH 4.5-6) 2.05 9.41 -39.36 2 5 1 61 301.757 4 ↓

Analogs

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Popular Name: 4-chloro-N-(2-imidazol-1-yl-8-quinolyl)butanamide 4-chloro-N-(2-imidazol-1-yl-8-qu…

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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) 2.32 9.62 -14.94 1 5 0 60 314.776 5 ↓
Lo Low (pH 4.5-6) 2.32 10.17 -43.04 2 5 1 61 315.784 5 ↓

Analogs

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Popular Name: (2S)-2-chloro-N-(2-imidazol-1-yl-8-quinolyl)propanamide (2S)-2-chloro-N-(2-imidazol-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) 2.14 8.69 -13.08 1 5 0 60 300.749 3 ↓
Lo Low (pH 4.5-6) 2.14 9.24 -40.82 2 5 1 61 301.757 3 ↓

Analogs

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Popular Name: (2R)-2-chloro-N-(2-imidazol-1-yl-8-quinolyl)propanamide (2R)-2-chloro-N-(2-imidazol-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) 2.14 8.69 -13.62 1 5 0 60 300.749 3 ↓
Lo Low (pH 4.5-6) 2.14 9.27 -40.72 2 5 1 61 301.757 3 ↓

Analogs

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Popular Name: 3-chloro-N-(2-imidazol-1-yl-8-quinolyl)-2,2-dimethyl-propanamide 3-chloro-N-(2-imidazol-1-yl-8-qu…

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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) 2.93 9.92 -11.55 1 5 0 60 328.803 4 ↓
Lo Low (pH 4.5-6) 2.93 10.45 -39.31 2 5 1 61 329.811 4 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.30 7.65 -13.03 1 6 0 69 282.303 4 ↓
Lo Low (pH 4.5-6) 2.30 8.2 -37.45 2 6 1 70 283.311 4 ↓

Analogs

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Popular Name: 4-bromo-N-(2-imidazol-1-yl-8-quinolyl)butanamide 4-bromo-N-(2-imidazol-1-yl-8-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) 2.45 9.73 -14.67 1 5 0 60 359.227 5 ↓
Lo Low (pH 4.5-6) 2.45 10.29 -42.82 2 5 1 61 360.235 5 ↓

Analogs

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Popular Name: 2-(2-methyl-1H-imidazol-1-yl)quinoline-4-carboxylic acid 2-(2-methyl-1H-imidazol-1-yl)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) 1.93 9.24 -46.07 0 5 -1 71 252.253 2 ↓
Lo Low (pH 4.5-6) 1.93 9.7 -52.05 1 5 0 72 253.261 2 ↓

Analogs

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Popular Name: 2-imidazol-1-ylquinoline-4-carboxylic 2-imidazol-1-ylquinoline-4-carbo…

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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) 1.84 8.78 -44.93 0 5 -1 71 238.226 2 ↓
Lo Low (pH 4.5-6) 1.84 9.36 -54.22 1 5 0 72 239.234 2 ↓

Analogs

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Popular Name: 2-(4-nitroimidazol-1-yl)quinoline-4-carboxylic 2-(4-nitroimidazol-1-yl)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) 1.92 10.49 -42.93 0 8 -1 117 283.223 3 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-N-(2-imidazol-1-yl-8-quinolyl)acetamide 2,2,2-trifluoro-N-(2-imidazol-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) 2.09 7.82 -11.56 1 5 0 60 306.247 3 ↓
Lo Low (pH 4.5-6) 2.09 8.38 -37.55 2 5 1 61 307.255 3 ↓

Analogs

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Popular Name: (2E,4E)-N-(2-imidazol-1-yl-8-quinolyl)hexa-2,4-dienamide (2E,4E)-N-(2-imidazol-1-yl-8-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) 2.58 10.26 -13.57 1 5 0 60 304.353 4 ↓
Lo Low (pH 4.5-6) 2.58 10.81 -39.54 2 5 1 61 305.361 4 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 566801 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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