UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(3-chlorophenyl)-7,7-dimethyl-2,5-dioxo-N-(2,2,6,6-tetramethyl-4-piperidyl)-6,8-dihydroquinoline-3 1-(3-chlorophenyl)-7,7-dimethyl-…

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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) 4.89 0.12 -42.89 3 6 1 85 485.048 3 ↓

Analogs

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Popular Name: 7,7-dimethyl-2,5-dioxo-1-phenyl-N-(2,2,6,6-tetramethyl-4-piperidyl)-6,8-dihydroquinoline-3-carboxami 7,7-dimethyl-2,5-dioxo-1-phenyl-…

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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) 4.02 0.27 -41.93 3 6 1 85 450.603 3 ↓

Analogs

3654569
3654569

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Popular Name: 1-(2-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-N-(2,2,6,6-tetramethyl-4-piperidyl)-6,8-dihydroquinoline- 1-(2-methoxyphenyl)-7,7-dimethyl…

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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) 4.24 0.47 -42.92 3 7 1 94 480.629 4 ↓

Analogs

3654569
3654569

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Popular Name: 1-(2-methoxyphenyl)-7,7-dimethyl-N-(1-methyl-4-piperidyl)-2,5-dioxo-6,8-dihydroquinoline-3-carboxami 1-(2-methoxyphenyl)-7,7-dimethyl…

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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) 2.87 1.12 -44.49 2 7 1 82 438.548 4 ↓

Parameters Provided:

ring.id = 101196
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 = 101196 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=101196&filter.purchasability=annotated

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