UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11995850
11995850
20203251
20203251
20209279
20209279
20785739
20785739

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Popular Name: 3-[(2,5-dimethylphenyl)methyl]-9-methoxy-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-7-oxo-1, 3-[(2,5-dimethylphenyl)methyl]-9…

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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) 2.40 2.47 -63.92 1 9 1 95 466.562 6 ↓

Analogs

20203251
20203251
20209279
20209279
20785739
20785739
11995423
11995423

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Popular Name: 9-methoxy-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-7-oxo-3-[(2,4,5-trimethylphenyl)methyl] 9-methoxy-N-methyl-N-[(4-methyl-…

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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) 2.78 2.83 -59.14 1 9 1 95 480.589 6 ↓

Analogs

19742604
19742604
20599299
20599299

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Popular Name: 9-methoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(o-tolylmethyl)-7-oxo-1,2,4,5-tetrahydropyrido 9-methoxy-N-[(4-methyl-1,2,5-oxa…

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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) 2.20 -0.35 -74.72 2 9 1 104 438.508 6 ↓

Parameters Provided:

ring.id = 47675
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 = 47675 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=47675&filter.purchasability=annotated

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