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Analogs

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Popular Name: 1-[(1-ethylimidazol-2-yl)methyl]-6-oxo-pyridine-3-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) 0.30 7.29 -48.74 1 6 0 81 247.254 4 ↓
Mid Mid (pH 6-8) 0.30 6.89 -46.56 0 6 -1 80 246.246 4 ↓

Analogs

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Popular Name: 1-[(1-ethylimidazol-2-yl)methyl]-2-oxo-pyridine-3-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) -0.02 8.23 -75.74 1 6 0 81 247.254 4 ↓
Mid Mid (pH 6-8) -0.02 7.78 -80.98 0 6 -1 80 246.246 4 ↓

Analogs

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Popular Name: 6-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-pyridine-3-carboxylic 6-methyl-1-[(1-methylimidazol-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) -0.24 7.85 -78.21 1 6 0 81 247.254 3 ↓
Mid Mid (pH 6-8) -0.24 7.55 -63.93 0 6 -1 80 246.246 3 ↓

Analogs

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Popular Name: 1-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-6-methyl-2-oxo-pyridine-3-carboxylic 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) 0.56 7.9 -62.85 0 6 -1 80 280.691 3 ↓
Mid Mid (pH 6-8) 0.56 8.2 -78.61 1 6 0 81 281.699 3 ↓

Analogs

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Popular Name: 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methyl-2-oxo-pyridine-3-carboxylic 1-[[1-(difluoromethyl)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) 0.32 7.58 -71.7 0 6 -1 80 282.226 4 ↓
Lo Low (pH 4.5-6) 0.32 8.08 -76.18 1 6 0 81 283.234 4 ↓

Analogs

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Popular Name: 1-[(1-ethylimidazol-2-yl)methyl]-6-methyl-2-oxo-pyridine-3-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) 0.14 9.05 -74.77 1 6 0 81 261.281 4 ↓
Mid Mid (pH 6-8) 0.14 8.5 -62.9 0 6 -1 80 260.273 4 ↓

Analogs

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Popular Name: 4,6-dimethyl-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-pyridine-3-carboxylic 4,6-dimethyl-1-[(1-methylimidazo…

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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) 0.53 8.46 -76.41 1 6 0 81 261.281 3 ↓
Mid Mid (pH 6-8) 0.53 8.18 -62.29 0 6 -1 80 260.273 3 ↓

Analogs

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Popular Name: 1-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-4,6-dimethyl-2-oxo-pyridine-3-carboxylic 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) 1.33 8.56 -61.16 0 6 -1 80 294.718 3 ↓
Mid Mid (pH 6-8) 1.33 8.83 -76.83 1 6 0 81 295.726 3 ↓

Analogs

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Popular Name: 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,6-dimethyl-2-oxo-pyridine-3-carboxylic 1-[[1-(difluoromethyl)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) 1.08 7.88 -79.98 0 6 -1 80 296.253 4 ↓
Lo Low (pH 4.5-6) 1.08 8.58 -77.18 1 6 0 81 297.261 4 ↓

Analogs

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Popular Name: 1-[(1-ethylimidazol-2-yl)methyl]-4,6-dimethyl-2-oxo-pyridine-3-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) 0.90 9.61 -74.6 1 6 0 81 275.308 4 ↓
Mid Mid (pH 6-8) 0.90 9.07 -63.2 0 6 -1 80 274.3 4 ↓

Analogs

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Popular Name: 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxo-pyridine-3-carboxylic 1-[[1-(difluoromethyl)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) 0.49 6.15 -44.1 0 6 -1 80 268.199 4 ↓
Lo Low (pH 4.5-6) 0.49 6.66 -52.05 1 6 0 81 269.207 4 ↓

Parameters Provided:

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filter.purchasability = annotated
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iosrcn = bgt
iosrct = trackref
iocnl3 = legacy

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 = 151561 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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