ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50517-1-O	Human Herpesvirus 5 Strain AD169 (cluster #1 Of 2), Other	Other	5	0.28	Functional ≤ 10μM
Z50530-1-O	Human Herpesvirus 5 (cluster #1 Of 5), Other	Other	6	0.28	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)	1.36	16.29	-35.15	1	8	0	80	572.559	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.58	15.59	-50.87	0	8	-1	81	571.551	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.36	14.29	-31.58	2	8	1	77	573.567	7	↓ MOL2 SDF SMILES Flexibase

21986258

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Cidofovir Cidofovir

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Vendors

And 16 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z101697-1-O	Camelpox Virus (cluster #1 Of 1), Other	Other	8800	0.39	Functional ≤ 10μM
Z101794-1-O	Felid Herpesvirus 1 (cluster #1 Of 1), Other	Other	1300	0.46	Functional ≤ 10μM
Z101848-1-O	Human Herpesvirus 8 (cluster #1 Of 1), Other	Other	64	0.56	Functional ≤ 10μM
Z102080-1-O	Simplexvirus (cluster #1 Of 1), Other	Other	3300	0.43	Functional ≤ 10μM
Z102131-1-O	Vaccinia Virus Copenhagen (cluster #1 Of 1), Other	Other	9800	0.39	Functional ≤ 10μM
Z50515-2-O	Human Herpesvirus 2 (cluster #2 Of 2), Other	Other	9500	0.39	Functional ≤ 10μM
Z50517-1-O	Human Herpesvirus 5 Strain AD169 (cluster #1 Of 2), Other	Other	95	0.55	Functional ≤ 10μM
Z50518-3-O	Human Herpesvirus 4 (cluster #3 Of 5), Other	Other	480	0.49	Functional ≤ 10μM
Z50527-3-O	Human Herpesvirus 3 (cluster #3 Of 3), Other	Other	70	0.56	Functional ≤ 10μM
Z50530-1-O	Human Herpesvirus 5 (cluster #1 Of 5), Other	Other	940	0.47	Functional ≤ 10μM
Z50599-1-O	Cowpox Virus (cluster #1 Of 1), Other	Other	9000	0.39	Functional ≤ 10μM
Z50600-1-O	Vaccinia Virus (cluster #1 Of 2), Other	Other	9400	0.39	Functional ≤ 10μM
Z50602-2-O	Human Herpesvirus 1 (cluster #2 Of 5), Other	Other	570	0.49	Functional ≤ 10μM
Z50604-1-O	Murid Herpesvirus 1 (cluster #1 Of 1), Other	Other	40	0.58	Functional ≤ 10μM
Z50624-1-O	Human Adenovirus Type 2 (cluster #1 Of 1), Other	Other	3100	0.43	Functional ≤ 10μM
Z80291-2-O	MRC5 (Embryonic Lung Fibroblast Cells) (cluster #2 Of 3), Other	Other	10000	0.39	Functional ≤ 10μM
Z80335-1-O	NHDF (cluster #1 Of 2), Other	Other	500	0.49	Functional ≤ 10μM
Z80709-1-O	Osteoclast-like (Bone Marrow Cells) (cluster #1 Of 1), Other	Other	10000	0.39	Functional ≤ 10μM
Z80942-1-O	HEL (Embryonic Lung Cells) (cluster #1 Of 2), Other	Other	600	0.48	Functional ≤ 10μM
Z80954-1-O	HFF (Foreskin Fibroblasts) (cluster #1 Of 1), Other	Other	1900	0.44	ADME/T ≤ 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)	-2.70	-5.05	-52.83	4	9	-1	151	278.181	6	↓ MOL2 SDF SMILES Flexibase

24763296

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50517-1-O	Human Herpesvirus 5 Strain AD169 (cluster #1 Of 2), Other	Other	5000	0.44	Functional ≤ 10μM
Z50530-3-O	Human Herpesvirus 5 (cluster #3 Of 5), 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)	1.90	1.8	-10.22	2	4	0	59	274.151	2	↓ MOL2 SDF SMILES Flexibase

1505

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Ganciclovir Ganciclovir

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Vendors

And 46 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z101794-1-O	Felid Herpesvirus 1 (cluster #1 Of 1), Other	Other	8100	0.40	Functional ≤ 10μM
Z50515-2-O	Human Herpesvirus 2 (cluster #2 Of 2), Other	Other	60	0.56	Functional ≤ 10μM
Z50517-1-O	Human Herpesvirus 5 Strain AD169 (cluster #1 Of 2), Other	Other	990	0.47	Functional ≤ 10μM
Z50518-3-O	Human Herpesvirus 4 (cluster #3 Of 5), Other	Other	5000	0.41	Functional ≤ 10μM
Z50527-3-O	Human Herpesvirus 3 (cluster #3 Of 3), Other	Other	590	0.48	Functional ≤ 10μM
Z50529-2-O	Cytomegalovirus (cluster #2 Of 2), Other	Other	8800	0.39	Functional ≤ 10μM
Z50530-1-O	Human Herpesvirus 5 (cluster #1 Of 5), Other	Other	990	0.47	Functional ≤ 10μM
Z50587-1-O	Homo Sapiens (cluster #1 Of 9), Other	Other	500	0.49	Functional ≤ 10μM
Z50602-2-O	Human Herpesvirus 1 (cluster #2 Of 5), Other	Other	9000	0.39	Functional ≤ 10μM
Z50604-1-O	Murid Herpesvirus 1 (cluster #1 Of 1), Other	Other	5500	0.41	Functional ≤ 10μM
Z50606-1-O	Hepatitis B Virus (cluster #1 Of 3), Other	Other	4000	0.42	Functional ≤ 10μM
Z80253-1-O	MEF (Embryonic Fibroblast Cells) (cluster #1 Of 1), Other	Other	5000	0.41	Functional ≤ 10μM
Z80291-2-O	MRC5 (Embryonic Lung Fibroblast Cells) (cluster #2 Of 3), Other	Other	9400	0.39	Functional ≤ 10μM
Z80823-1-O	E6SM (Embryonic Skin-muscle Fibroblast Cells) (cluster #1 Of 1), Other	Other	1	0.70	Functional ≤ 10μM
Z80942-1-O	HEL (Embryonic Lung Cells) (cluster #1 Of 2), Other	Other	900	0.47	Functional ≤ 10μM
Z80943-1-O	HEL 299 (cluster #1 Of 1), Other	Other	630	0.48	Functional ≤ 10μM
Z80954-1-O	HFF (Foreskin Fibroblasts) (cluster #1 Of 4), Other	Other	8400	0.39	Functional ≤ 10μM
Z81115-2-O	KB (Squamous Cell Carcinoma) (cluster #2 Of 6), Other	Other	3500	0.42	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)	-2.16	-1.32	-22.09	5	9	0	139	255.234	5	↓ MOL2 SDF SMILES Flexibase

1530555

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Acyclovir Acyclovir

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Vendors

And 84 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z101794-1-O	Felid Herpesvirus 1 (cluster #1 Of 1), Other	Other	1000	0.53	Functional ≤ 10μM
Z50515-2-O	Human Herpesvirus 2 (cluster #2 Of 2), Other	Other	9600	0.44	Functional ≤ 10μM
Z50517-1-O	Human Herpesvirus 5 Strain AD169 (cluster #1 Of 2), Other	Other	7600	0.45	Functional ≤ 10μM
Z50518-3-O	Human Herpesvirus 4 (cluster #3 Of 5), Other	Other	6900	0.45	Functional ≤ 10μM
Z50527-1-O	Human Herpesvirus 3 (cluster #1 Of 3), Other	Other	900	0.53	Functional ≤ 10μM
Z50527-3-O	Human Herpesvirus 3 (cluster #3 Of 3), Other	Other	4900	0.46	Functional ≤ 10μM
Z50530-1-O	Human Herpesvirus 5 (cluster #1 Of 5), Other	Other	7500	0.45	Functional ≤ 10μM
Z50587-1-O	Homo Sapiens (cluster #1 Of 9), Other	Other	90	0.62	Functional ≤ 10μM
Z50600-1-O	Vaccinia Virus (cluster #1 Of 2), Other	Other	384	0.56	Functional ≤ 10μM
Z50602-2-O	Human Herpesvirus 1 (cluster #2 Of 5), Other	Other	990	0.53	Functional ≤ 10μM
Z50606-1-O	Hepatitis B Virus (cluster #1 Of 3), Other	Other	20	0.67	Functional ≤ 10μM
Z80040-1-O	BHK-21 (Kidney Cells) (cluster #1 Of 1), Other	Other	2000	0.50	Functional ≤ 10μM
Z80291-2-O	MRC5 (Embryonic Lung Fibroblast Cells) (cluster #2 Of 3), Other	Other	5000	0.46	Functional ≤ 10μM
Z80414-1-O	Raji (B-lymphoblastic Cells) (cluster #1 Of 3), Other	Other	2900	0.48	Functional ≤ 10μM
Z80583-7-O	Vero (Kidney Cells) (cluster #7 Of 7), Other	Other	7540	0.45	Functional ≤ 10μM
Z80942-1-O	HEL (Embryonic Lung Cells) (cluster #1 Of 2), Other	Other	900	0.53	Functional ≤ 10μM
Z80954-1-O	HFF (Foreskin Fibroblasts) (cluster #1 Of 4), Other	Other	8100	0.45	Functional ≤ 10μM
Z81247-5-O	HeLa (Cervical Adenocarcinoma Cells) (cluster #5 Of 9), Other	Other	8710	0.44	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)	-1.61	-0.6	-19.69	4	8	0	119	225.208	4	↓ MOL2 SDF SMILES Flexibase

3794605

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

And 1 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50517-1-O	Human Herpesvirus 5 Strain AD169 (cluster #1 Of 2), Other	Other	1200	0.46	Functional ≤ 10μM
Z50527-1-O	Human Herpesvirus 3 (cluster #1 Of 3), Other	Other	810	0.47	Functional ≤ 10μM
Z50530-1-O	Human Herpesvirus 5 (cluster #1 Of 5), Other	Other	850	0.47	Functional ≤ 10μM
Z80136-1-O	FM3A (Breast Carcinoma Cells) (cluster #1 Of 6), Other	Other	390	0.50	Functional ≤ 10μM
Z80224-1-O	MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other	Other	400	0.50	Functional ≤ 10μM
Z81252-3-O	MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other	Other	4400	0.42	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)	-2.12	-6.04	-16.54	3	7	0	104	252.226	2	↓ MOL2 SDF SMILES Flexibase

26502825

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

Amadis Chemical
- A848833

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z101697-1-O	Camelpox Virus (cluster #1 Of 1), Other	Other	500	0.44	Functional ≤ 10μM
Z102131-1-O	Vaccinia Virus Copenhagen (cluster #1 Of 1), Other	Other	2700	0.39	Functional ≤ 10μM
Z102132-1-O	Vaccinia Virus WR (cluster #1 Of 1), Other	Other	6500	0.36	Functional ≤ 10μM
Z50517-1-O	Human Herpesvirus 5 Strain AD169 (cluster #1 Of 2), Other	Other	80	0.50	Functional ≤ 10μM
Z50530-1-O	Human Herpesvirus 5 (cluster #1 Of 5), Other	Other	820	0.43	Functional ≤ 10μM
Z50599-1-O	Cowpox Virus (cluster #1 Of 1), Other	Other	4000	0.38	Functional ≤ 10μM
Z50599-1-O	Cowpox Virus (cluster #1 Of 1), Other	Other	5000	0.37	Functional ≤ 10μM
Z50600-1-O	Vaccinia Virus (cluster #1 Of 2), Other	Other	2700	0.39	Functional ≤ 10μM
Z50600-1-O	Vaccinia Virus (cluster #1 Of 2), Other	Other	3500	0.38	Functional ≤ 10μM
Z50604-1-O	Murid Herpesvirus 1 (cluster #1 Of 1), Other	Other	160	0.48	Functional ≤ 10μM
Z50606-1-O	Hepatitis B Virus (cluster #1 Of 3), Other	Other	1200	0.41	Functional ≤ 10μM
Z50624-1-O	Human Adenovirus Type 2 (cluster #1 Of 1), Other	Other	630	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)	-1.63	-1.53	-55.96	4	10	-1	159	302.207	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-1.63	-0.38	-140.45	3	10	-2	162	301.199	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

annotation.name = Z50517
anotation.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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'Z50517' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

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Embed Link to Results

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "annotation.name": "Z50517"        

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