UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(dimethylamino)-N-(4-methylthiazol-2-yl)thieno[2,3-d]thiazole-5-carboxamide 2-(dimethylamino)-N-(4-methylthi…

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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) 2.76 5.8 -10.9 1 5 0 58 324.456 3 ↓
Hi High (pH 8-9.5) 2.83 4.26 -47.33 0 5 -1 64 323.448 3 ↓
Lo Low (pH 4.5-6) 2.76 6.27 -33.31 2 5 1 59 325.464 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(dimethylamino)-N-(5-methylthiazol-2-yl)thieno[2,3-d]thiazole-5-carboxamide 2-(dimethylamino)-N-(5-methylthi…

Find On: PubMed — Wikipedia — Google

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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) 2.76 6.36 -15.29 1 5 0 58 324.456 3 ↓
Hi High (pH 8-9.5) 2.83 4.8 -51.35 0 5 -1 64 323.448 3 ↓
Lo Low (pH 4.5-6) 2.76 6.82 -37.25 2 5 1 59 325.464 3 ↓

Parameters Provided:

ring.id = 541046
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 = 541046 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=541046&filter.purchasability=annotated

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