UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (E)-1-(m-tolyl)-3-[2-(1-piperidyl)-3H-inden-1-yl]prop-2-en-1-one (E)-1-(m-tolyl)-3-[2-(1-piperidy…

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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) 5.30 14.7 -8.63 0 2 0 20 343.47 4 ↓

Analogs

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Popular Name: (E)-1-(4-chlorophenyl)-3-[2-(1-piperidyl)-3H-inden-1-yl]prop-2-en-1-one (E)-1-(4-chlorophenyl)-3-[2-(1-p…

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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) 5.55 14.51 -6.95 0 2 0 20 363.888 4 ↓

Analogs

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Popular Name: (E)-1-(4-bromophenyl)-3-[2-(1-piperidyl)-3H-inden-1-yl]prop-2-en-1-one (E)-1-(4-bromophenyl)-3-[2-(1-pi…

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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) 5.68 14.6 -6.87 0 2 0 20 408.339 4 ↓

Parameters Provided:

ring.id = 404546
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 = 404546 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=404546&filter.purchasability=annotated

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