UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

33726672
33726672

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Popular Name: (6E)-6-[(4-hydroxy-3,5-dimethoxy-phenyl)methylene]-5-imino-2-(2-morpholino-2-oxo-ethyl)-[1,3,4]thiad (6E)-6-[(4-hydroxy-3,5-dimethoxy…

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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) -0.97 1.64 -16.4 3 11 0 142 459.484 4 ↓

Analogs

33739348
33739348

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Popular Name: (6E)-5-imino-6-[(4-methoxyphenyl)methylene]-2-(2-morpholino-2-oxo-ethyl)-[1,3,4]thiadiazolo[3,2-a]py (6E)-5-imino-6-[(4-methoxyphenyl…

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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) -0.27 3.88 -14.26 2 9 0 113 413.459 3 ↓
Mid Mid (pH 6-8) -0.27 3.58 -15.8 2 9 0 113 413.459 3 ↓

Parameters Provided:

ring.id = 71705
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 = 71705 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=71705&filter.purchasability=annotated

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