UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

26771432
26771432

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Popular Name: (5Z)-3-(3-keto-3-phenothiazin-10-yl-propyl)-5-(2-thenylidene)-2-thioxo-thiazolidin-4-one (5Z)-3-(3-keto-3-phenothiazin-10…

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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) 5.71 -1.52 -16.04 0 4 0 44 480.661 4 ↓

Analogs

26771433
26771433

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Popular Name: (5Z)-3-[3-(2-chlorophenothiazin-10-yl)-3-keto-propyl]-5-(2-thenylidene)-2-thioxo-thiazolidin-4-one (5Z)-3-[3-(2-chlorophenothiazin-…

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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) 6.36 -1.92 -14.43 0 4 0 44 515.106 4 ↓

Parameters Provided:

ring.id = 233805
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 = 233805 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=233805&filter.purchasability=annotated

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