UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(7-keto-9,9-dimethyl-8,10-dihydronaphtho[1,2-b]benzofuran-5-yl)-2,4,6-trimethyl-benzenesulfonamide N-(7-keto-9,9-dimethyl-8,10-dihy…

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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) 6.48 -0.83 -15.61 1 5 0 76 461.583 3 ↓
Hi High (pH 8-9.5) 6.48 -0.25 -58.21 0 5 -1 78 460.575 3 ↓

Analogs

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Popular Name: N-(9,9-dimethyl-7-oxo-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)-4-methylbenzenesulfonamide N-(9,9-dimethyl-7-oxo-7,8,9,10-t…

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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) 5.72 -1.56 -20.12 1 5 0 76 433.529 3 ↓
Hi High (pH 8-9.5) 5.72 -1.06 -63.68 0 5 -1 78 432.521 3 ↓

Parameters Provided:

ring.id = 1193
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 = 1193 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=1193&filter.purchasability=annotated

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