UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 73706-32-8; Auricularine; C09043 73706-32-8; Auricularine; C09043

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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) 7.01 14.34 -45.17 3 4 1 35 495.735 4 ↓
Hi High (pH 8-9.5) 7.01 10.5 -4.18 2 4 0 34 494.727 4 ↓

Analogs

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Popular Name: 51109-65-0; Borreverine; C09082 51109-65-0; Borreverine; C09082

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Activity (Go SEA)

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) 6.76 10.92 -39.38 4 4 1 48 481.708 4 ↓

Parameters Provided:

ring.id = 169590
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 = 169590 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=169590&filter.purchasability=annotated

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