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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(3S)-1,1-dioxothian-3-yl]-2-piperazin-1-yl-ethanesulfonamide N-[(3S)-1,1-dioxothian-3-yl]-2-p…

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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) -1.41 -3.76 -56.8 3 7 1 100 326.464 5 ↓
Hi High (pH 8-9.5) -1.41 -5.11 -19.99 2 7 0 96 325.456 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothian-3-yl]-2-piperazin-1-yl-ethanesulfonamide N-[(3R)-1,1-dioxothian-3-yl]-2-p…

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) -1.41 -3.68 -60.37 3 7 1 100 326.464 5 ↓
Hi High (pH 8-9.5) -1.41 -5.03 -21.55 2 7 0 96 325.456 5 ↓

Parameters Provided:

ring.id = 290367
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 = 290367 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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