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)	3.50	4.99	-13.27	2	4	0	62	313.176	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.50	5.99	-55.3	1	4	-1	65	312.168	2	↓ MOL2 SDF SMILES Flexibase

37486543

Analogs

37847064

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Vendors

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50606-2-O	Hepatitis B Virus (cluster #2 Of 3), Other	Other	2900	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)	3.30	4.28	-13.53	2	4	0	62	299.149	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.30	5.28	-56.76	1	4	-1	65	298.141	2	↓ MOL2 SDF SMILES Flexibase

37486544

Analogs

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Vendors

Enamine BB Make on Demand
- BBV-32028833

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50606-2-O	Hepatitis B Virus (cluster #2 Of 3), Other	Other	3500	0.45	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)	3.96	4.81	-11.04	2	4	0	62	333.594	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.96	5.81	-49.43	1	4	-1	65	332.586	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.48	2.62	-41.54	1	4	-1	69	332.586	2	↓ MOL2 SDF SMILES Flexibase

3066019

Analogs

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Popular Name:

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And 5 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50606-2-O	Hepatitis B Virus (cluster #2 Of 3), Other	Other	760	0.43	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)	3.69	1.5	-14.06	1	4	0	55	334.169	4	↓ MOL2 SDF SMILES Flexibase

4865602

Analogs

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And 5 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50606-2-O	Hepatitis B Virus (cluster #2 Of 3), Other	Other	660	0.41	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)	4.26	0.08	-14.69	2	6	0	95	306.705	3	↓ MOL2 SDF SMILES Flexibase

5379014

Analogs

39914982

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And 6 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50606-2-O	Hepatitis B Virus (cluster #2 Of 3), Other	Other	730	0.43	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)	3.96	1.43	-13.87	1	4	0	55	381.169	4	↓ MOL2 SDF SMILES Flexibase

28114219

Analogs

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Vendors

MedChem Express
- HY-16680

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50515-1-O	Human Herpesvirus 2 (cluster #1 Of 2), Other	Other	1400	0.29	Functional ≤ 10μM
Z50602-2-O	Human Herpesvirus 1 (cluster #2 Of 5), Other	Other	1400	0.29	Functional ≤ 10μM
Z50606-2-O	Hepatitis B Virus (cluster #2 Of 3), Other	Other	900	0.30	Functional ≤ 10μM
Z50627-1-O	Human Papillomavirus Type 11 (cluster #1 Of 1), Other	Other	5800	0.26	Functional ≤ 10μM
Z50643-2-O	Hepatitis C Virus (cluster #2 Of 5), Other	Other	10000	0.25	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)	3.73	2.92	-47.42	1	8	-1	106	375.316	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.73	1.81	-21.55	2	8	0	103	376.324	1	↓ MOL2 SDF SMILES Flexibase

6093906

Analogs

5988

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Popular Name: Helioxanthin Helioxanthin

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Vendors

BOC Sciences BB
- 18920-47-3

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50529-1-O	Cytomegalovirus (cluster #1 Of 2), Other	Other	7300	0.28	Functional ≤ 10μM
Z50530-1-O	Human Herpesvirus 5 (cluster #1 Of 5), Other	Other	7300	0.28	Functional ≤ 10μM
Z50602-2-O	Human Herpesvirus 1 (cluster #2 Of 5), Other	Other	2000	0.31	Functional ≤ 10μM
Z50606-2-O	Hepatitis B Virus (cluster #2 Of 3), Other	Other	160	0.37	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)	4.19	0.67	-11.9	0	6	0	63	348.31	1	↓ MOL2 SDF SMILES Flexibase

192476

Analogs

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And 5 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50606-2-O	Hepatitis B Virus (cluster #2 Of 3), Other	Other	5600	0.35	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)	4.04	-1.49	-11.68	2	4	0	62	296.351	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = Z50606-2-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 'Z50606-2-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=Z50606-2-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": "Z50606-2-O",        
        "target.type": "F10"        

    });
</script>