UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4R)-4-(4-aminophenyl)-4-ethyl-cyclohexane-1,3-dione (4R)-4-(4-aminophenyl)-4-ethyl-c…

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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) 0.52 3.98 -47.28 2 3 -1 66 230.287 2 ↓
Mid Mid (pH 6-8) -0.22 5.1 -10.63 2 3 0 60 231.295 2 ↓

Analogs

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Popular Name: (4S)-4-(4-aminophenyl)-4-ethyl-cyclohexane-1,3-dione (4S)-4-(4-aminophenyl)-4-ethyl-c…

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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) 0.52 3.96 -47.26 2 3 -1 66 230.287 2 ↓
Mid Mid (pH 6-8) -0.22 5.09 -10.6 2 3 0 60 231.295 2 ↓

Parameters Provided:

ring.id = 366885
filter.purchasability = annotated
page.format = targets
page.num = 1
VisitorId = 36b000f9-9363-4cdc-a049-8df028b2a5f3

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 = 366885 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=366885&filter.purchasability=annotated

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