UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19905335
19905335
49573572
49573572
19723271
19723271

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Popular Name: 3,7-dibenzyl-3,7-diazabicyclo[3.3.1]nonan-9-one 3,7-dibenzyl-3,7-diazabicyclo[3.…

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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) 2.80 12.56 -35.22 1 3 1 25 321.444 4 ↓
Hi High (pH 8-9.5) 2.80 10.56 -4.97 0 3 0 24 320.436 4 ↓

Analogs

19865427
19865427

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Popular Name: BRD-K86929910-001-01-9 BRD-K86929910-001-01-9

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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) 3.29 13.51 -33.04 1 3 1 25 349.498 4 ↓

Parameters Provided:

ring.id = 53497
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 = 53497 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=53497&filter.purchasability=annotated

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