UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16693904
16693904
6274493
6274493

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Popular Name: (5Z)-1-benzyl-4-methyl-2,6-dioxo-5-[(4-phenylanilino)methylene]pyridine-3-carbonitrile (5Z)-1-benzyl-4-methyl-2,6-dioxo…

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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) 4.97 13.9 -21.15 1 5 0 75 419.484 5 ↓

Analogs

5021827
5021827
5021825
5021825
9061312
9061312
16693904
16693904

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Popular Name: (5Z)-4-methyl-2,6-dioxo-5-[(4-phenylanilino)methylene]-1-[(1S)-1-phenylethyl]pyridine-3-carbonitrile (5Z)-4-methyl-2,6-dioxo-5-[(4-ph…

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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) 5.33 14.34 -20.93 1 5 0 75 433.511 5 ↓

Analogs

5021827
5021827
5021825
5021825
9061312
9061312
16693904
16693904

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-4-methyl-2,6-dioxo-5-[(4-phenylanilino)methylene]-1-[(1R)-1-phenylethyl]pyridine-3-carbonitrile (5Z)-4-methyl-2,6-dioxo-5-[(4-ph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.33 14.65 -20.52 1 5 0 75 433.511 5 ↓

Parameters Provided:

ring.id = 4651
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 = 4651 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=4651&filter.purchasability=annotated

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