UCSF
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Analogs

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Popular Name: 3-hydroxy-6-(hydroxymethyl)-2-{[4-(4-methoxyphenyl)piperazino]methyl}-4H-pyran-4-one 3-hydroxy-6-(hydroxymethyl)-2-{[…

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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) 0.80 1.91 -58.3 1 7 -1 89 345.375 5 ↓
Mid Mid (pH 6-8) 0.80 1.11 -13.17 2 7 0 86 346.383 5 ↓
Mid Mid (pH 6-8) 0.80 4.13 -50.65 2 7 0 90 346.383 5 ↓

Analogs

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Popular Name: 2-{[4-(2,3-dimethylphenyl)piperazino]methyl}-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one 2-{[4-(2,3-dimethylphenyl)pipera…

Find On: PubMed — Wikipedia — Google

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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 3.67 -10.54 2 6 0 77 344.411 4 ↓
Hi High (pH 8-9.5) 1.54 4.46 -57.65 1 6 -1 80 343.403 4 ↓
Mid Mid (pH 6-8) 1.54 6.71 -47.46 2 6 0 81 344.411 4 ↓

Parameters Provided:

ring.id = 250373
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 = 250373 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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