UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[(2-chlorophenyl)methoxy]-N-(3-methoxyphenyl)-4-oxo-1H-pyridine-2-carboxamide 5-[(2-chlorophenyl)methoxy]-N-(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) 4.01 5.64 -12.56 2 6 0 81 384.819 6 ↓
Mid Mid (pH 6-8) 4.01 6.53 -53.97 1 6 -1 84 383.811 6 ↓

Analogs

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Popular Name: 5-[(2-chlorophenyl)methoxy]-N-(2-methoxyphenyl)-4-oxo-1H-pyridine-2-carboxamide 5-[(2-chlorophenyl)methoxy]-N-(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) 3.98 5.78 -10.31 2 6 0 81 384.819 6 ↓
Mid Mid (pH 6-8) 3.98 6.69 -51.67 1 6 -1 84 383.811 6 ↓

Analogs

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Popular Name: N-(3-acetylphenyl)-5-[(2-chlorophenyl)methoxy]-4-oxo-1H-pyridine-2-carboxamide N-(3-acetylphenyl)-5-[(2-chlorop…

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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) 3.85 6.83 -18.28 2 6 0 89 396.83 6 ↓
Mid Mid (pH 6-8) 3.85 7.73 -62.1 1 6 -1 91 395.822 6 ↓

Analogs

34575112
34575112

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Popular Name: N-(4-acetylphenyl)-5-benzyloxy-4-oxo-1H-pyridine-2-carboxamide N-(4-acetylphenyl)-5-benzyloxy-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) 3.24 6.31 -13.1 2 6 0 89 362.385 6 ↓
Mid Mid (pH 6-8) 3.24 7.13 -51.25 1 6 -1 91 361.377 6 ↓

Parameters Provided:

ring.id = 586443
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 = 586443 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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