UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5-amino-1H-pyrazol-4-yl)-(8-azaspiro[4.5]decan-8-yl)methanone (5-amino-1H-pyrazol-4-yl)-(8-aza…

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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) 0.71 3.96 -7.93 3 5 0 75 248.33 1 ↓

Analogs

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Popular Name: 8-azaspiro[4.5]decan-8-yl(1H-pyrazol-4-yl)methanone 8-azaspiro[4.5]decan-8-yl(1H-pyr…

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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) 1.10 4.94 -8.45 1 4 0 49 233.315 1 ↓

Analogs

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Popular Name: 8-azaspiro[4.5]decan-8-yl-(3,5-dimethyl-1H-pyrazol-4-yl)methanone 8-azaspiro[4.5]decan-8-yl-(3,5-d…

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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) 1.54 6.34 -8.74 1 4 0 49 261.369 1 ↓

Parameters Provided:

ring.id = 320398
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 = 320398 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=320398&filter.purchasability=annotated

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