UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12032325
12032325

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Popular Name: (2Z,5Z)-3-allyl-5-[(2-chlorophenyl)methylene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]thiazolidin-4 (2Z,5Z)-3-allyl-5-[(2-chlorophen…

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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) 4.42 9.23 -11 0 5 0 60 376.894 4 ↓

Analogs

16689562
16689562
16910053
16910053
35625259
35625259
39866100
39866100
39866101
39866101

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Popular Name: (2E,5E)-3-allyl-5-[(2-chlorophenyl)methylene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]thiazolidin-4 (2E,5E)-3-allyl-5-[(2-chlorophen…

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) 4.42 0.02 -9.54 0 5 0 60 376.894 4 ↓

Parameters Provided:

ring.id = 18878
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 = 18878 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=18878&filter.purchasability=annotated

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