UCSF
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Popular Name: 2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)-N-[[(3S)-tetrahydrofuran-3-yl]methyl]ethanamine 2-(1,1-dioxobenzo[e][1,2,4]thiad…

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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) 0.91 3.77 -60.04 2 6 1 76 310.399 5 ↓
Hi High (pH 8-9.5) 0.91 2.45 -13.23 1 6 0 71 309.391 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)-N-[[(3R)-tetrahydrofuran-3-yl]methyl]ethanamine 2-(1,1-dioxobenzo[e][1,2,4]thiad…

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) 0.91 3.79 -61.85 2 6 1 76 310.399 5 ↓
Hi High (pH 8-9.5) 0.91 2.44 -13.7 1 6 0 71 309.391 5 ↓

Parameters Provided:

ring.id = 77053
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 = 77053 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=77053&filter.purchasability=annotated

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