UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39300920
39300920
15838334
15838334
15671210
15671210
21793912
21793912

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Popular Name: [4-(dimethylamino)-1-naphthyl]-[4-[6-(N,3-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone [4-(dimethylamino)-1-naphthyl]-[…

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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) 4.47 16.67 -37.54 1 7 1 57 481.624 5 ↓
Mid Mid (pH 6-8) 4.47 16.21 -12.75 0 7 0 56 480.616 5 ↓

Analogs

38529032
38529032
38529030
38529030
38529028
38529028
38529957
38529957
38522487
38522487

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Popular Name: [4-[6-(N,3-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]-(2-ethoxy-1-naphthyl)methanone [4-[6-(N,3-dimethylanilino)pyrim…

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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) 4.80 15.78 -39.27 1 7 1 63 482.608 6 ↓
Mid Mid (pH 6-8) 4.80 16.15 -16.88 0 7 0 62 481.6 6 ↓

Parameters Provided:

ring.id = 604625
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 = 604625 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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