UCSF
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Analogs

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Popular Name: 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-oxo-pyridine-3-carboxylic 1-[(5-methyl-1,3,4-oxadiazol-2-y…

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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) -1.19 -0.17 -49.84 0 7 -1 101 234.191 3 ↓

Analogs

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Popular Name: 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-methyl-2-oxo-pyridine-3-carboxylic 1-[(5-ethyl-1,3,4-oxadiazol-2-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) -0.79 2.82 -77.73 0 7 -1 101 262.245 4 ↓

Analogs

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Popular Name: 6-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-pyridine-3-carboxylic 6-methyl-1-[(5-methyl-1,3,4-oxad…

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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) -1.36 2.04 -78.08 0 7 -1 101 248.218 3 ↓

Analogs

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Popular Name: 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-pyridine-3-carboxylic 1-[(5-ethyl-1,3,4-oxadiazol-2-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) -0.02 3.38 -78.52 0 7 -1 101 276.272 4 ↓

Analogs

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Popular Name: 4,6-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-pyridine-3-carboxylic 4,6-dimethyl-1-[(5-methyl-1,3,4-…

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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) -0.60 2.62 -78.31 0 7 -1 101 262.245 3 ↓

Parameters Provided:

ring.id = 54798
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 = 54798 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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