UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6255000
6255000

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Popular Name: N-(4,5-dimethylthiazol-2-yl)-N'-thiazol-2-yl-butanediamide N-(4,5-dimethylthiazol-2-yl)-N'-…

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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) 1.01 4.67 -18.9 2 6 0 84 310.404 5 ↓

Analogs

31947090
31947090
31947091
31947091
34961519
34961519

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Popular Name: N-(4-methylthiazol-2-yl)-N'-thiazol-2-yl-butanediamide N-(4-methylthiazol-2-yl)-N'-thia…

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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) 0.79 3.62 -15.79 2 6 0 84 296.377 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-methylthiazol-2-yl)-N'-thiazol-2-yl-butanediamide N-(5-methylthiazol-2-yl)-N'-thia…

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) 0.79 4.18 -18.44 2 6 0 84 296.377 5 ↓

Parameters Provided:

ring.id = 540205
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 = 540205 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=540205&filter.purchasability=annotated

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