UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-4-methyl-1-phenyl-pyrazolo[5,4-d]pyridazin-7-one 6-[2-(3,4-dihydro-2H-quinolin-1-…

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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) 2.85 1.18 -22.33 0 7 0 73 399.454 3 ↓

Analogs

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Popular Name: 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-1-(4-fluorophenyl)-4-methyl-pyrazolo[5,4-d]pyridazi 6-[2-(3,4-dihydro-2H-quinolin-1-…

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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) 3.02 1.92 -20.32 0 7 0 73 417.444 3 ↓

Analogs

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Popular Name: 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-1-(4-fluorophenyl)-4-isopropyl-pyrazolo[5,4-d]pyrid 6-[2-(3,4-dihydro-2H-quinolin-1-…

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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) 4.07 2.31 -19.26 0 7 0 73 445.498 4 ↓

Analogs

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Popular Name: 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-4-isopropyl-1-(o-tolyl)pyrazolo[5,4-d]pyridazin-7-o 6-[2-(3,4-dihydro-2H-quinolin-1-…

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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) 4.52 2.01 -21.41 0 7 0 73 441.535 4 ↓

Parameters Provided:

ring.id = 95889
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 = 95889 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=95889&filter.purchasability=annotated

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