UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-[(5-amino-3-methyl-2-pyridyl)oxy]-3,4-dihydro-1H-quinolin-2-one 6-[(5-amino-3-methyl-2-pyridyl)o…

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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) 2.49 2.61 -10.05 3 5 0 77 269.304 2 ↓

Analogs

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Popular Name: 6-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pyridine-3-carbonitrile 6-[(2-oxo-3,4-dihydro-1H-quinoli…

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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) 2.22 4.41 -11.37 1 5 0 75 265.272 2 ↓

Analogs

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Popular Name: 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pyridine-4-carbothioamide 2-[(2-oxo-3,4-dihydro-1H-quinoli…

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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) 2.21 3.21 -22.67 3 5 0 77 299.355 3 ↓

Analogs

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Popular Name: 6-[(5-amino-6-methoxy-2-pyridyl)oxy]-3,4-dihydro-1H-quinolin-2-one 6-[(5-amino-6-methoxy-2-pyridyl)…

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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 0.8 -9.91 3 6 0 86 285.303 3 ↓

Analogs

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Popular Name: 6-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]-3,4-dihydro-1H-quinolin-2-one 6-[[3-chloro-5-(trifluoromethyl)…

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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) 3.96 5.55 -7.96 1 4 0 51 342.704 3 ↓

Analogs

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Popular Name: 6-[(6-bromo-2-pyridyl)oxy]-3,4-dihydro-1H-quinolin-2-one 6-[(6-bromo-2-pyridyl)oxy]-3,4-d…

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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) 3.61 4.55 -9.74 1 4 0 51 319.158 2 ↓

Parameters Provided:

ring.id = 22975
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 = 22975 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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