ZINC 12

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Quick Search ZINC ID or SMILES

Results
Query Details

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

62936428

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.60	4.85	-47.48	1	7	0	91	256.258	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.60	2.39	-51.38	0	7	-1	90	255.25	3	↓ MOL2 SDF SMILES Flexibase

62936429

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.60	4.82	-46.68	1	7	0	91	256.258	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.60	2.42	-53.81	0	7	-1	90	255.25	3	↓ MOL2 SDF SMILES Flexibase

62937419

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.27	5.35	-43.89	1	7	0	91	270.285	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.27	2.89	-54.73	0	7	-1	90	269.277	4	↓ MOL2 SDF SMILES Flexibase

62937420

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.27	5.3	-46.17	1	7	0	91	270.285	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.27	2.84	-50.52	0	7	-1	90	269.277	4	↓ MOL2 SDF SMILES Flexibase

62938149

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.29	6.12	-43.86	1	7	0	91	284.312	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.29	3.64	-55.1	0	7	-1	90	283.304	5	↓ MOL2 SDF SMILES Flexibase

62938150

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.29	6.07	-46.16	1	7	0	91	284.312	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.29	3.59	-51.02	0	7	-1	90	283.304	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 9424
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 = 9424 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=9424&filter.purchasability=annotated

Embed Link to Results

<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": "9424"        

    });
</script>

ZINC 12

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Parameters Provided:

Structural Results Found: (before additional filtering)

SQL Query Was

Permalink

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