UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42696870
42696870
42696872
42696872
15905486
15905486
15905488
15905488
15905490
15905490

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Popular Name: ethyl 4-{[3-(5-methoxy-1,3-benzothiazol-2-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-en-6-yl]carbonyl}-1-piperazinecarboxylate ethyl 4-{[3-(5-methoxy-1,3-benzo…

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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) 2.52 8.73 -27 0 10 0 102 498.561 5 ↓

Analogs

42696870
42696870
42696872
42696872
15905486
15905486
15905488
15905488
15905490
15905490

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 4-{[3-(5-methoxy-1,3-benzothiazol-2-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-en-6-yl]carbonyl}-1-piperazinecarboxylate ethyl 4-{[3-(5-methoxy-1,3-benzo…

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) 2.52 7.4 -25.41 0 10 0 102 498.561 5 ↓

Parameters Provided:

ring.id = 93844
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 = 93844 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=93844&filter.purchasability=annotated

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