UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1R,6S)-9-[[4-(diethylamino)phenyl]methyl]-4,9-diazabicyclo[4.2.1]nonan-3-one (1R,6S)-9-[[4-(diethylamino)phen…

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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) 3.43 8.45 -44.01 2 4 1 37 302.442 5 ↓
Hi High (pH 8-9.5) 3.43 6.35 -7.75 1 4 0 36 301.434 5 ↓
Lo Low (pH 4.5-6) 3.43 6.46 -16.88 2 4 0 37 302.442 5 ↓

Analogs

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Popular Name: (1S,6R)-9-[(3-allyl-4-methoxy-phenyl)methyl]-3-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one (1S,6R)-9-[(3-allyl-4-methoxy-ph…

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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) 3.63 9.63 -49.18 1 4 1 34 315.437 5 ↓
Hi High (pH 8-9.5) 3.63 7.52 -9.04 0 4 0 33 314.429 5 ↓

Parameters Provided:

ring.id = 406642
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 = 406642 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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