UCSF
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Analogs

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Popular Name: 1-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione 1-(2-Hydroxyphenyl)-3-phenyl-1,3…

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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) 2.82 8.14 -19.2 1 3 0 54 240.258 4 ↓
Mid Mid (pH 6-8) 2.82 9.15 -66.18 0 3 -1 57 239.25 4 ↓
Mid Mid (pH 6-8) 4.01 7 -59.24 1 3 -1 60 239.25 3 ↓

Analogs

36889716
36889716
36889718
36889718

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Popular Name: 1-(2-methoxyphenyl)-3-phenyl-propane-1,3-dione 1-(2-methoxyphenyl)-3-phenyl-pro…

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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) 2.89 10.16 -20.32 0 3 0 43 254.285 5 ↓
Mid Mid (pH 6-8) 4.08 9.02 -63.06 0 3 -1 49 253.277 4 ↓

Parameters Provided:

ring.id = 42223
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 = 42223 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=42223&filter.purchasability=annotated

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