UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6,9,10-trihydroxy-3,3-dimethyl-5-(3-methylbut-2-enyl)pyrano[6,5-c]xanthen-7-one 6,9,10-trihydroxy-3,3-dimethyl-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) 5.25 5.9 -10.68 3 6 0 100 394.423 2 ↓

Analogs

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Popular Name: 6,10,11-trihydroxy-3,3-dimethyl-pyrano[6,5-c]xanthen-7-one 6,10,11-trihydroxy-3,3-dimethyl-…

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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) 3.69 2.97 -12.39 3 6 0 100 326.304 0 ↓

Analogs

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Popular Name: 6,10-dihydroxy-11-methoxy-3,3-dimethyl-pyrano[6,5-c]xanthen-7-one 6,10-dihydroxy-11-methoxy-3,3-di…

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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) 3.97 5.08 -11.73 2 6 0 89 340.331 1 ↓

Parameters Provided:

ring.id = 138368
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 = 138368 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=138368&filter.purchasability=annotated

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