UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19908497
19908497
38342156
38342156

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Popular Name: 5-(azocan-1-yl)-1,3,4-thiadiazole-2-thiol 5-(azocan-1-yl)-1,3,4-thiadiazol…

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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) 3.19 6.32 -44.93 0 3 -1 29 228.366 1 ↓

Analogs

3296791
3296791
8157323
8157323
12976371
12976371

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Popular Name: 2-[[5-(azocan-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-(azocan-1-yl)-1,3,4-thiadi…

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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) 2.64 7.67 -47.1 0 5 -1 69 286.402 4 ↓

Parameters Provided:

ring.id = 5217
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 = 5217 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=5217&filter.purchasability=annotated

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