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)	-0.51	-1.97	-92.08	8	4	2	103	152.248	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.51	-1.7	-7.9	6	4	0	100	150.232	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.51	-1.94	-32.77	7	4	1	101	151.24	3	↓ MOL2 SDF SMILES Flexibase

1532176

Analogs

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Popular Name: Thiram Thiram

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Vendors

And 27 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MGLL-6-E	Monoglyceride Lipase (cluster #6 Of 7), Eukaryotic	Eukaryotes	977	0.70	Binding ≤ 10μM
Z50607-5-O	Human Immunodeficiency Virus 1 (cluster #5 Of 10), Other	Other	1	1.05	Functional ≤ 10μM

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)	2.21	6.86	-16.65	0	2	0	6	240.444	5	↓ MOL2 SDF SMILES Flexibase

1703849

Analogs

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Vendors

NCI Plated 2007
- 112801

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50607-5-O	Human Immunodeficiency Virus 1 (cluster #5 Of 10), Other	Other	77	0.66	Functional ≤ 10μM

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)	1.30	2.33	-9.51	1	4	0	59	242.325	3	↓ MOL2 SDF SMILES Flexibase

1747615

Analogs

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Vendors

NCI Plated 2007
- 16847

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50607-5-O	Human Immunodeficiency Virus 1 (cluster #5 Of 10), Other	Other	1	0.79	Functional ≤ 10μM

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)	3.64	-2.97	-16.17	0	2	0	6	348.656	8	↓ MOL2 SDF SMILES Flexibase

5600070

Analogs

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Vendors

NCI Plated 2007
- 403854

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50607-5-O	Human Immunodeficiency Virus 1 (cluster #5 Of 10), Other	Other	1	0.63	Functional ≤ 10μM

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)	1.42	4.01	-11.59	2	6	0	49	354.548	7	↓ MOL2 SDF SMILES Flexibase

1606736

Analogs

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And 7 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MGLL-6-E	Monoglyceride Lipase (cluster #6 Of 7), Eukaryotic	Eukaryotes	316	0.51	Binding ≤ 10μM
Z50607-5-O	Human Immunodeficiency Virus 1 (cluster #5 Of 10), Other	Other	30	0.59	Functional ≤ 10μM
Z80224-3-O	MCF7 (Breast Carcinoma Cells) (cluster #3 Of 14), Other	Other	30	0.59	Functional ≤ 10μM
Z80712-3-O	T47D (Breast Carcinoma Cells) (cluster #3 Of 7), Other	Other	270	0.51	Functional ≤ 10μM
Z81252-5-O	MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #5 Of 11), Other	Other	590	0.48	Functional ≤ 10μM

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)	4.03	10.7	-14.87	0	2	0	6	320.574	5	↓ MOL2 SDF SMILES Flexibase

1594973

Analogs

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MGLL-6-E	Monoglyceride Lipase (cluster #6 Of 7), Eukaryotic	Eukaryotes	219	0.52	Binding ≤ 10μM
Z50607-5-O	Human Immunodeficiency Virus 1 (cluster #5 Of 10), Other	Other	1	0.70	Functional ≤ 10μM

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)	1.90	-5.1	-13.05	0	4	0	24	324.518	5	↓ MOL2 SDF SMILES Flexibase

1595003

Analogs

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Popular Name: Dixanthogen Dixanthogen

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Vendors

And 2 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50607-5-O	Human Immunodeficiency Virus 1 (cluster #5 Of 10), Other	Other	108	0.81	Functional ≤ 10μM

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)	2.87	6.56	-7.26	0	2	0	18	242.412	7	↓ MOL2 SDF SMILES Flexibase

1680789

Analogs

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50607-5-O	Human Immunodeficiency Virus 1 (cluster #5 Of 10), Other	Other	13	0.69	Functional ≤ 10μM

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)	4.99	-1.05	-5.42	0	2	0	18	298.52	11	↓ MOL2 SDF SMILES Flexibase

5192879

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And 4 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50607-5-O	Human Immunodeficiency Virus 1 (cluster #5 Of 10), Other	Other	6	0.48	Functional ≤ 10μM

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)	7.96	16.19	-11.88	0	2	0	6	408.768	17	↓ MOL2 SDF SMILES Flexibase

1576771

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50607-5-O	Human Immunodeficiency Virus 1 (cluster #5 Of 10), Other	Other	7	0.82	Functional ≤ 10μM

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)	3.60	-0.77	-6.21	0	2	0	18	270.466	7	↓ MOL2 SDF SMILES Flexibase

1571875

Analogs

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Vendors

Florida Heterocyclic Compounds
- 4581

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50607-5-O	Human Immunodeficiency Virus 1 (cluster #5 Of 10), Other	Other	20	0.54	Functional ≤ 10μM

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)	5.51	11.14	-9.09	0	2	0	18	338.5	7	↓ MOL2 SDF SMILES Flexibase

1529266

Analogs

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Popular Name: Disulfiram Disulfiram

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And 35 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MGLL-6-E	Monoglyceride Lipase (cluster #6 Of 7), Eukaryotic	Eukaryotes	1259	0.52	Binding ≤ 10μM
TRPA1-6-E	Transient Receptor Potential Cation Channel Subfamily A Member 1 (cluster #6 Of 6), Eukaryotic	Eukaryotes	3000	0.48	Functional ≤ 10μM
Z50425-13-O	Plasmodium Falciparum (cluster #13 Of 22), Other	Other	3981	0.47	Functional ≤ 10μM
Z50607-5-O	Human Immunodeficiency Virus 1 (cluster #5 Of 10), Other	Other	3	0.75	Functional ≤ 10μM
Z80076-2-O	CEM-SS (T-cell Leukemia) (cluster #2 Of 5), Other	Other	3900	0.47	Functional ≤ 10μM
Z80224-3-O	MCF7 (Breast Carcinoma Cells) (cluster #3 Of 14), Other	Other	100	0.61	Functional ≤ 10μM
Z80712-3-O	T47D (Breast Carcinoma Cells) (cluster #3 Of 7), Other	Other	170	0.59	Functional ≤ 10μM
Z81252-5-O	MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #5 Of 11), Other	Other	320	0.57	Functional ≤ 10μM

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)	3.71	10.59	-14.87	0	2	0	6	296.552	9	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = Z50607-5-O
target.type = F10
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 'Z50607-5-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=Z50607-5-O&target.type=F10&filter.purchasability=purchasable

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', {
        "target.name": "Z50607-5-O",        
        "target.type": "F10"        

    });
</script>