UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(1,1-dioxothian-4-yl)thiazol-2-amine N-(1,1-dioxothian-4-yl)thiazol-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) 0.64 1.13 -12.93 1 4 0 59 232.33 2 ↓
Lo Low (pH 4.5-6) 0.64 1.51 -42.39 2 4 1 60 233.338 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,1-dioxothian-4-yl)-4-methyl-thiazol-2-amine N-(1,1-dioxothian-4-yl)-4-methyl…

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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) 0.86 1.63 -14.44 1 4 0 59 246.357 2 ↓
Lo Low (pH 4.5-6) 0.86 2.08 -40.62 2 4 1 60 247.365 2 ↓

Parameters Provided:

ring.id = 89824
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 = 89824 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=89824&filter.purchasability=annotated

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