UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41909690
41909690

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Popular Name: 2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide 2-[(3R)-1,1-dioxothiolan-3-yl]su…

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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) -0.12 0.92 -29.5 1 6 0 89 293.395 4 ↓
Hi High (pH 8-9.5) 0.06 -0.3 -50.42 0 6 -1 95 292.387 4 ↓

Analogs

41909686
41909686

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Popular Name: 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide 2-[(3S)-1,1-dioxothiolan-3-yl]su…

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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) -0.12 0.92 -30.61 1 6 0 89 293.395 4 ↓
Hi High (pH 8-9.5) 0.06 -0.29 -51.05 0 6 -1 95 292.387 4 ↓

Parameters Provided:

ring.id = 590838
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 = 590838 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=590838&filter.purchasability=annotated

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