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)	4.41	11.22	-43.3	1	4	1	35	319.432	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.41	9.11	-10.72	0	4	0	34	318.424	5	↓ MOL2 SDF SMILES Flexibase

9419985

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50651-1-O	Vesicular Stomatitis Virus (cluster #1 Of 2), Other	Other	4074	0.31	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)	4.06	-0.76	-44.27	1	4	1	35	317.416	3	↓ MOL2 SDF SMILES Flexibase

67762

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50651-1-O	Vesicular Stomatitis Virus (cluster #1 Of 2), Other	Other	5623	0.29	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)	4.57	-0.56	-44.38	1	4	1	35	331.443	3	↓ MOL2 SDF SMILES Flexibase

1035331

Analogs

4245717
6603353

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Popular Name: Ribavirin Ribavirin

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Vendors

And 31 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z100497-1-O	Bovine Viral Diarrhea Virus (cluster #1 Of 3), Other	Other	7000	0.42	Functional ≤ 10μM
Z100811-1-O	Influenza A Virus (H5N1) (cluster #1 Of 1), Other	Other	9400	0.41	Functional ≤ 10μM
Z101822-1-O	H3N2 Subtype (cluster #1 Of 2), Other	Other	9000	0.42	Functional ≤ 10μM
Z50142-1-O	Influenza A Virus (A/PR/8/34(H1N1)) (cluster #1 Of 2), Other	Other	9700	0.41	Functional ≤ 10μM
Z50523-1-O	Influenza B Virus (cluster #1 Of 1), Other	Other	9000	0.42	Functional ≤ 10μM
Z50525-1-O	Tacaribe Virus (cluster #1 Of 1), Other	Other	10000	0.41	Functional ≤ 10μM
Z50594-1-O	Mus Musculus (cluster #1 Of 9), Other	Other	8300	0.42	Functional ≤ 10μM
Z50602-2-O	Human Herpesvirus 1 (cluster #2 Of 5), Other	Other	10000	0.41	Functional ≤ 10μM
Z50641-1-O	West Nile Virus (cluster #1 Of 2), Other	Other	1100	0.49	Functional ≤ 10μM
Z50651-1-O	Vesicular Stomatitis Virus (cluster #1 Of 2), Other	Other	10000	0.41	Functional ≤ 10μM
Z50652-1-O	Influenza A Virus (cluster #1 Of 4), Other	Other	9800	0.41	Functional ≤ 10μM
Z50678-2-O	Respiratory Syncytial Virus (cluster #2 Of 2), Other	Other	7000	0.42	Functional ≤ 10μM
Z80040-1-O	BHK-21 (Kidney Cells) (cluster #1 Of 1), Other	Other	1100	0.49	Functional ≤ 10μM
Z80249-1-O	MDCK (Kidney Cells) (cluster #1 Of 2), Other	Other	4900	0.44	Functional ≤ 10μM
Z80285-1-O	MOLT-4 (Acute T-lymphoblastic Leukemia Cells) (cluster #1 Of 4), Other	Other	5700	0.43	Functional ≤ 10μM
Z80823-1-O	E6SM (Embryonic Skin-muscle Fibroblast Cells) (cluster #1 Of 1), Other	Other	5	0.68	Functional ≤ 10μM
Z81247-1-O	HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other	Other	1500	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)	-2.77	-8.13	-17.41	5	9	0	144	244.207	3	↓ MOL2 SDF SMILES Flexibase

842889

Analogs

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Vendors

Scientific Exchange (make on demand)
- R-051840
Ambinter
- Amb6875525

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z101913-1-O	Modoc Virus (cluster #1 Of 1), Other	Other	50	0.31	Functional ≤ 10μM
Z102079-1-O	Simian Virus 40 (cluster #1 Of 1), Other	Other	1000	0.25	Functional ≤ 10μM
Z50515-1-O	Human Herpesvirus 2 (cluster #1 Of 2), Other	Other	170	0.29	Functional ≤ 10μM
Z50600-1-O	Vaccinia Virus (cluster #1 Of 2), Other	Other	200	0.28	Functional ≤ 10μM
Z50645-1-O	Murine Hepatitis Virus (cluster #1 Of 1), Other	Other	20	0.33	Functional ≤ 10μM
Z50651-1-O	Vesicular Stomatitis Virus (cluster #1 Of 2), Other	Other	1000	0.25	Functional ≤ 10μM
Z50665-1-O	Enterovirus (cluster #1 Of 1), Other	Other	160	0.29	Functional ≤ 10μM
Z50795-1-O	San Angelo Virus (cluster #1 Of 1), Other	Other	200	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)	6.46	11.57	-17.57	3	6	0	87	444.579	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.46	12	-36.98	4	6	1	88	445.587	5	↓ MOL2 SDF SMILES Flexibase

19727275

Analogs

203315

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Vendors

And 8 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50651-1-O	Vesicular Stomatitis Virus (cluster #1 Of 2), Other	Other	4467	0.30	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)	3.50	7.05	-12.43	0	5	0	43	332.407	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = Z50651-1-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 'Z50651-1-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=Z50651-1-O&target.type=F10&filter.purchasability=purchasable

Embed Link to Results

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        "target.name": "Z50651-1-O",        
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