UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11843066
11843066

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Popular Name: (10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-[1-[[(2S)-tetrahydrofuran-2-yl]methyl]triazol- (10-methoxy-2,3,4,6-tetrahydro-1…

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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) 1.25 0.68 -16.53 0 8 0 79 372.425 4 ↓

Analogs

11843065
11843065

Draw Identity 99% 90% 80% 70%

Popular Name: (10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-[1-[[(2R)-tetrahydrofuran-2-yl]methyl]triazol- (10-methoxy-2,3,4,6-tetrahydro-1…

Find On: PubMed — Wikipedia — Google

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) 1.25 0.58 -16.35 0 8 0 79 372.425 4 ↓

Parameters Provided:

ring.id = 60328
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 = 60328 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=60328&filter.purchasability=annotated

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