ZINC 12

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.74	1.94	-53.73	0	7	-1	109	299.328	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.74	3.05	-45.85	1	7	0	110	300.336	3	↓ MOL2 SDF SMILES Flexibase

37325959

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.74	1.91	-58.72	0	7	-1	109	299.328	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.74	3.02	-49.95	1	7	0	110	300.336	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 566274
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 566274 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=566274&filter.purchasability=annotated

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "566274"        

    });
</script>

ZINC 12

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Structural Results Found: (before additional filtering)

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