UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-amino-1-(isoxazol-4-ylmethyl)pyridin-2-one 3-amino-1-(isoxazol-4-ylmethyl)p…

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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) -0.23 2.21 -14.81 2 5 0 74 191.19 2 ↓

Analogs

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Popular Name: 1-[(3,5-dimethylisoxazol-4-yl)methyl]-6-methyl-5-nitro-pyridin-2-one 1-[(3,5-dimethylisoxazol-4-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) 1.23 6.14 -12.27 0 7 0 94 263.253 3 ↓

Analogs

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Popular Name: 1-(isoxazol-4-ylmethyl)-6-methyl-2-oxo-pyridine-3-carboxylic 1-(isoxazol-4-ylmethyl)-6-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) 0.01 5.91 -70.79 0 6 -1 88 233.203 3 ↓

Analogs

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Popular Name: 1-[(3,5-dimethylisoxazol-4-yl)methyl]-4,6-dimethyl-2-oxo-pyridine-3-carboxylic 1-[(3,5-dimethylisoxazol-4-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) 1.22 7.4 -72.81 0 6 -1 88 275.284 3 ↓

Analogs

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Popular Name: 1-(isoxazol-4-ylmethyl)-4,6-dimethyl-2-oxo-pyridine-3-carboxylic 1-(isoxazol-4-ylmethyl)-4,6-dime…

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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) 0.78 6.47 -70.78 0 6 -1 88 247.23 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 6.95 -72.67 0 6 -1 88 261.257 3 ↓

Parameters Provided:

ring.id = 10579
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 = 10579 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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