ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

19996973

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[5-(4-fluorophenyl)-2-furyl]methylene]-1-(o-tolyl)hexahydropyrimidine-2,4,6-trione (5Z)-5-[[5-(4-fluorophenyl)-2-fu…

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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)	4.04	9.39	-52.32	0	6	-1	88	389.362	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.59	11.18	-14.28	1	6	0	85	390.37	3	↓ MOL2 SDF SMILES Flexibase

20238496

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[5-(4-ethoxy-2-nitro-phenyl)-2-furyl]methylene]-1-(p-tolyl)hexahydropyrimidine-2,4,6-trione (5Z)-5-[[5-(4-ethoxy-2-nitro-phe…

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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)	4.04	10.1	-62.26	0	10	-1	143	460.422	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.58	11.88	-21.18	1	10	0	140	461.43	6	↓ MOL2 SDF SMILES Flexibase

20238505

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-5-((5-(4-ethoxy-2-nitrophenyl)furan-2-yl)methylene)-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione (Z)-5-((5-(4-ethoxy-2-nitropheny…

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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)	3.65	8.75	-60.1	0	11	-1	152	476.421	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.19	10.52	-20.88	1	11	0	149	477.429	7	↓ MOL2 SDF SMILES Flexibase

20238520

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-5-((5-(4-ethoxy-2-nitrophenyl)furan-2-yl)methylene)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione (Z)-5-((5-(4-ethoxy-2-nitropheny…

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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)	3.59	9.44	-62.19	0	10	-1	143	446.395	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.13	11.22	-21.32	1	10	0	140	447.403	6	↓ MOL2 SDF SMILES Flexibase

20238532

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-1-(4-chlorophenyl)-5-((5-(4-ethoxy-2-nitrophenyl)furan-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (Z)-1-(4-chlorophenyl)-5-((5-(4-…

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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)	4.27	9.96	-56.46	0	10	-1	143	480.84	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.81	11.74	-19.16	1	10	0	140	481.848	6	↓ MOL2 SDF SMILES Flexibase

20238538

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-1-(4-bromophenyl)-5-((5-(2-methyl-5-nitrophenyl)furan-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (Z)-1-(4-bromophenyl)-5-((5-(2-m…

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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)	4.41	10.29	-46.88	0	9	-1	134	495.265	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.96	12.06	-15.54	1	9	0	131	496.273	4	↓ MOL2 SDF SMILES Flexibase

20238541

Analogs

15723803

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-1-(4-bromophenyl)-5-((5-(4-methoxy-2-nitrophenyl)furan-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (Z)-1-(4-bromophenyl)-5-((5-(4-m…

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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)	4.02	9.15	-56.83	0	10	-1	143	511.264	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.56	10.93	-19.31	1	10	0	140	512.272	5	↓ MOL2 SDF SMILES Flexibase

20238550

Analogs

15722900

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-1-(4-ethylphenyl)-5-((5-(2-methyl-5-nitrophenyl)furan-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (Z)-1-(4-ethylphenyl)-5-((5-(2-m…

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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)	4.52	11.1	-51.42	0	9	-1	134	444.423	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.06	12.87	-16.42	1	9	0	131	445.431	5	↓ MOL2 SDF SMILES Flexibase

20238553

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-5-((5-(4-ethoxy-2-nitrophenyl)furan-2-yl)methylene)-1-(4-ethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione (Z)-5-((5-(4-ethoxy-2-nitropheny…

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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)	4.50	10.87	-61.88	0	10	-1	143	474.449	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.05	12.65	-20.88	1	10	0	140	475.457	7	↓ MOL2 SDF SMILES Flexibase

20238556

Analogs

15722963

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-1-(4-ethylphenyl)-5-((5-(4-methoxy-2-nitrophenyl)furan-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (Z)-1-(4-ethylphenyl)-5-((5-(4-m…

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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)	4.13	9.94	-62.11	0	10	-1	143	460.422	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.67	11.72	-21.08	1	10	0	140	461.43	6	↓ MOL2 SDF SMILES Flexibase

20238565

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-1-(4-fluorophenyl)-5-((5-(2-methyl-5-nitrophenyl)furan-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (Z)-1-(4-fluorophenyl)-5-((5-(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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.77	9.73	-46.7	0	9	-1	134	434.359	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.31	11.52	-15.86	1	9	0	131	435.367	4	↓ MOL2 SDF SMILES Flexibase

20238568

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-5-((5-(4-ethoxy-2-nitrophenyl)furan-2-yl)methylene)-1-(4-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione (Z)-5-((5-(4-ethoxy-2-nitropheny…

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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)	3.75	9.51	-55.95	0	10	-1	143	464.385	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.30	11.29	-19.31	1	10	0	140	465.393	6	↓ MOL2 SDF SMILES Flexibase

20238571

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-1-(4-fluorophenyl)-5-((5-(4-methoxy-2-nitrophenyl)furan-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (Z)-1-(4-fluorophenyl)-5-((5-(4-…

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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)	3.38	8.57	-56.3	0	10	-1	143	450.358	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.92	10.36	-19.55	1	10	0	140	451.366	5	↓ MOL2 SDF SMILES Flexibase

20238580

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-1-(3-chloro-4-methylphenyl)-5-((5-(2-methyl-5-nitrophenyl)furan-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (Z)-1-(3-chloro-4-methylphenyl)-…

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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)	4.87	10.7	-48.7	0	9	-1	134	464.841	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.41	12.48	-16.27	1	9	0	131	465.849	4	↓ MOL2 SDF SMILES Flexibase

20238595

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-1-(3-chloro-4-methoxyphenyl)-5-((5-(4-ethoxy-2-nitrophenyl)furan-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (Z)-1-(3-chloro-4-methoxyphenyl)…

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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)	4.46	9.26	-56.77	0	11	-1	152	510.866	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.01	11.03	-20.02	1	11	0	149	511.874	7	↓ MOL2 SDF SMILES Flexibase

20238598

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-1-(3-chloro-4-methoxyphenyl)-5-((5-(4-methoxy-2-nitrophenyl)furan-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (Z)-1-(3-chloro-4-methoxyphenyl)…

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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)	4.09	8.33	-57.12	0	11	-1	152	496.839	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.63	10.1	-20.25	1	11	0	149	497.847	6	↓ MOL2 SDF SMILES Flexibase

13799387

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-(2-fluorophenyl)-5-[[5-(4-fluorophenyl)-2-furyl]methylene]hexahydropyrimidine-2,4,6-trione (5Z)-1-(2-fluorophenyl)-5-[[5-(4…

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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)	3.76	7.78	-57.61	0	6	-1	88	393.325	3	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	3.76	7.64	-57.96	0	6	-1	88	393.325	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.30	10.33	-15.69	1	6	0	85	394.333	3	↓ MOL2 SDF SMILES Flexibase

13799961

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-3-(5-((1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid (Z)-3-(5-((1-(4-chlorophenyl)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.83	8.64	-117.95	0	8	-2	128	434.791	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.38	11.19	-64.56	1	8	-1	125	435.799	4	↓ MOL2 SDF SMILES Flexibase

14010747

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[5-[(E)-[1-(4-bromophenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]-2-furyl]-3-methyl-ben 4-[5-[(E)-[1-(4-bromophenyl)-2,4…

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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)	4.37	9.28	-103.66	0	8	-2	128	493.269	4	↓ MOL2 SDF SMILES Flexibase

14010779

Analogs

15722963

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[5-(4-methoxy-2-nitro-phenyl)-2-furyl]methylene]-1-phenyl-hexahydropyrimidine-2,4,6-trione (5E)-5-[[5-(4-methoxy-2-nitro-ph…

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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)	3.21	8.53	-61.13	0	10	-1	143	432.368	5	↓ MOL2 SDF SMILES Flexibase

14010783

Analogs

17112980

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-4-[5-[(E)-[1-(4-methoxyphenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]-2-furyl]be 2-chloro-4-[5-[(E)-[1-(4-methoxy…

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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)	3.50	7.66	-106.72	0	9	-2	138	464.817	5	↓ MOL2 SDF SMILES Flexibase

14010836

Analogs

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Popular Name: (5E)-1-(2,3-dichlorophenyl)-5-[[5-(4-methyl-3-nitro-phenyl)-2-furyl]methylene]hexahydropyrimidine-2, (5E)-1-(2,3-dichlorophenyl)-5-[[…

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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)	5.08	10.93	-65.01	0	9	-1	134	485.259	4	↓ MOL2 SDF SMILES Flexibase

14011193

Analogs

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Popular Name: 2-chloro-5-[5-[(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]-2-furyl 2-chloro-5-[5-[(E)-[1-(3,5-dimet…

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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)	4.70	9.68	-136.81	0	8	-2	128	462.845	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 58186
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 = 58186 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=58186&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": "58186"        

    });
</script>

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Parameters Provided:

Structural Results Found: (before additional filtering)

SQL Query Was