UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

33953819
33953819
34579483
34579483
34825886
34825886
34825887
34825887
34825888
34825888

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Popular Name: 3-ethyl-2-[(Z,3E)-3-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-methyl-prop-1-enyl]-1,3-benzothiazol-3-iu 3-ethyl-2-[(Z,3E)-3-(3-ethyl-1,3…

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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) 3.07 14.21 -25.12 0 2 1 9 379.574 4 ↓

Analogs

33671965
33671965

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Popular Name: 2-[2-[(E)-2-[(Z)-(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methyl-1,3-benzot 2-[2-[(E)-2-[(Z)-(3-ethyl-5-meth…

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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) 3.05 14.99 -38.31 0 4 0 49 450.629 6 ↓

Parameters Provided:

ring.id = 12037
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 = 12037 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=12037&filter.purchasability=annotated

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