UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

40854946
40854946

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Popular Name: 2,3-dihydro-1,4-benzothiazin-4-yl-(4-methyl-4-piperidyl)methanone 2,3-dihydro-1,4-benzothiazin-4-y…

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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) 2.06 6.46 -46.56 2 3 1 37 277.413 1 ↓

Analogs

40854946
40854946

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Popular Name: 2,3-dihydro-1,4-benzothiazin-4-yl-(4-ethyl-4-piperidyl)methanone 2,3-dihydro-1,4-benzothiazin-4-y…

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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) 2.39 7.33 -47.73 2 3 1 37 291.44 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,3-dihydro-1,4-benzothiazin-4-yl-(4-propyl-4-piperidyl)methanone 2,3-dihydro-1,4-benzothiazin-4-y…

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) 2.95 7.8 -48.12 2 3 1 37 305.467 3 ↓

Parameters Provided:

ring.id = 287570
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 = 287570 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=287570&filter.purchasability=annotated

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