UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4E)-4-(4,4-dimethyl-1-thioxo-5H-thieno[2,3-c]quinolin-2-ylidene)-2-thioxo-thiazolidin-5-one (4E)-4-(4,4-dimethyl-1-thioxo-5H…

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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) 3.79 8.27 -8.54 2 3 0 45 376.553 0 ↓

Analogs

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Popular Name: 3-ethyl-4-[1-(2-methoxyethyl)-2,6-dimethyl-4-pyridylidene]-2-thioxo-thiazolidin-5-one 3-ethyl-4-[1-(2-methoxyethyl)-2,…

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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) 2.11 8.22 -50.87 1 4 1 36 325.479 4 ↓
Mid Mid (pH 6-8) 2.11 8.16 -30.56 0 4 0 36 324.471 4 ↓

Parameters Provided:

ring.id = 195267
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 = 195267 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=195267&filter.purchasability=annotated

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