UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: dioxo(3-thienyl)BLAHone dioxo(3-thienyl)BLAHone

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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) 2.03 3.25 -16.98 1 5 0 80 338.435 1 ↓
Hi High (pH 8-9.5) 2.48 1.51 -53.55 0 5 -1 83 337.427 1 ↓

Analogs

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Popular Name: (2-fluorophenyl)methyl-dioxo-BLAHone (2-fluorophenyl)methyl-dioxo-BLA…

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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) 2.50 5.2 -18.59 1 5 0 80 364.423 2 ↓
Hi High (pH 8-9.5) 2.96 2.95 -53.79 0 5 -1 83 363.415 2 ↓

Parameters Provided:

ring.id = 152144
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 = 152144 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=152144&filter.purchasability=annotated

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