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)	2.65	2.82	-11.39	3	5	0	87	274.272	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.65	3.73	-43.27	2	5	-1	90	273.264	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = Q72547-4-V
target.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

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 activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'Q72547-4-V' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=Q72547-4-V&target.type=B10&filter.purchasability=purchasable

Embed Link to Results

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        "target.name": "Q72547-4-V",        
        "target.type": "B10"        

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