UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

15862347
15862347

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Popular Name: 2-[[(4-methoxyphenyl)methyl-methyl-amino]methyl]-6-methyl-1H-quinolin-4-one 2-[[(4-methoxyphenyl)methyl-meth…

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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) 2.80 7.36 -19.34 1 4 0 45 322.408 5 ↓
Mid Mid (pH 6-8) 2.80 9.77 -67.67 2 4 1 47 323.416 5 ↓

Analogs

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Popular Name: 8-fluoro-2-[[(4-methoxyphenyl)methyl-methyl-amino]methyl]-1H-quinolin-4-one 8-fluoro-2-[[(4-methoxyphenyl)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) 2.49 7.12 -14.03 1 4 0 45 326.371 5 ↓
Mid Mid (pH 6-8) 3.79 9.19 -38.64 1 4 0 50 326.371 5 ↓
Mid Mid (pH 6-8) 2.49 9.52 -59.26 2 4 1 47 327.379 5 ↓

Analogs

15862350
15862350

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Popular Name: 6-fluoro-2-[[(4-methoxyphenyl)methyl-methyl-amino]methyl]-1H-quinolin-4-one 6-fluoro-2-[[(4-methoxyphenyl)me…

Find On: PubMed — Wikipedia — Google

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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) 1.54 6.79 -20.61 1 4 0 45 326.371 5 ↓
Mid Mid (pH 6-8) 1.54 9.19 -72.53 2 4 1 47 327.379 5 ↓
Mid Mid (pH 6-8) 2.84 8.82 -41.51 1 4 0 50 326.371 5 ↓

Parameters Provided:

ring.id = 88344
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 = 88344 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=88344&filter.purchasability=annotated

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