UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N'-[2-(p-tolylsulfanyl)acetyl]-5,6-dihydro-4H-cyclopenta[d]thiophene-2-carbohydrazide N'-[2-(p-tolylsulfanyl)acetyl]-5…

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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) 3.28 8.24 -11.09 2 4 0 58 346.477 5 ↓

Analogs

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Popular Name: N'-[2-(o-tolylsulfanyl)acetyl]-5,6-dihydro-4H-cyclopenta[d]thiophene-2-carbohydrazide N'-[2-(o-tolylsulfanyl)acetyl]-5…

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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) 3.23 8.14 -10.93 2 4 0 58 346.477 5 ↓

Parameters Provided:

ring.id = 255072
filter.purchasability = annotated
page.format = targets
page.num = 1
rolex-org.lang = it

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 = 255072 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=255072&filter.purchasability=annotated

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