UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4167361
4167361

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Popular Name: N-benzo[1,3]dioxol-5-yl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide N-benzo[1,3]dioxol-5-yl-2-[(3-ph…

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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) 3.86 -3.53 -15.09 1 6 0 73 371.443 5 ↓

Analogs

4167262
4167262

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Popular Name: N-benzo[1,3]dioxol-5-yl-2-[[3-(p-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide N-benzo[1,3]dioxol-5-yl-2-[[3-(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) 4.31 7.13 -18.62 1 6 0 73 385.47 5 ↓

Analogs

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Popular Name: N-benzo[1,3]dioxol-5-yl-2-[[3-(o-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide N-benzo[1,3]dioxol-5-yl-2-[[3-(o…

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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) 4.26 6.7 -19.07 1 6 0 73 385.47 5 ↓

Parameters Provided:

ring.id = 246189
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 = 246189 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=246189&filter.purchasability=annotated

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