UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

40719842
40719842

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Popular Name: 3-[(1R,5R)-6,6-dimethoxy-3-methyl-3-azabicyclo[3.2.0]heptan-5-yl]phenol 3-[(1R,5R)-6,6-dimethoxy-3-methy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50597-1-O Rattus Norvegicus (cluster #1 Of 5), Other Other 61 0.53 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 579 0.46 Binding ≤ 1μM
Z50597 Z50597 Rattus Norvegicus 579 0.46 Binding ≤ 10μM

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) 1.88 4.21 -40.07 2 4 1 43 264.345 3 ↓
Hi High (pH 8-9.5) 1.88 1.72 -5.63 1 4 0 42 263.337 3 ↓

Parameters Provided:

ring.id = 597264
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 = 597264 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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