UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6119309
6119309
6585361
6585361
3950
3950

Draw Identity 99% 90% 80% 70%

Popular Name: 2'-Deoxy-2'-fluoroguanosine 2'-Deoxy-2'-fluoroguanosine

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80193-2-O L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other Other 8500 0.35 Functional ≤ 10μM
Z80687-1-O B-cells (cluster #1 Of 2), Other Other 750 0.43 Functional ≤ 10μM
Z81344-1-O Wild Type T- Cell Line (cluster #1 Of 1), Other Other 200 0.47 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.04 -4.32 -31.34 5 9 0 139 285.235 2 ↓

Analogs

3950
3950
6119309
6119309
6585361
6585361

Draw Identity 99% 90% 80% 70%

Popular Name: 2'-Deoxy-2'-fluoroguanosine 2'-Deoxy-2'-fluoroguanosine

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80193-2-O L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other Other 8500 0.35 Functional ≤ 10μM
Z80687-1-O B-cells (cluster #1 Of 2), Other Other 750 0.43 Functional ≤ 10μM
Z81344-1-O Wild Type T- Cell Line (cluster #1 Of 1), Other Other 200 0.47 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.04 -3.75 -31.51 5 9 0 139 285.235 2 ↓

Analogs

3950
3950
6119309
6119309
6585361
6585361

Draw Identity 99% 90% 80% 70%

Popular Name: 2'-Deoxy-2'-fluoroguanosine 2'-Deoxy-2'-fluoroguanosine

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80193-2-O L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other Other 8500 0.35 Functional ≤ 10μM
Z80687-1-O B-cells (cluster #1 Of 2), Other Other 750 0.43 Functional ≤ 10μM
Z81344-1-O Wild Type T- Cell Line (cluster #1 Of 1), Other Other 200 0.47 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.04 -2.27 -23.24 5 9 0 139 285.235 2 ↓

Analogs

3950
3950
6119309
6119309
6585361
6585361

Draw Identity 99% 90% 80% 70%

Popular Name: 2'-Deoxy-2'-fluoroguanosine 2'-Deoxy-2'-fluoroguanosine

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80193-2-O L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other Other 8500 0.35 Functional ≤ 10μM
Z80687-1-O B-cells (cluster #1 Of 2), Other Other 750 0.43 Functional ≤ 10μM
Z81344-1-O Wild Type T- Cell Line (cluster #1 Of 1), Other Other 200 0.47 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.04 -2.49 -20.69 5 9 0 139 285.235 2 ↓

Parameters Provided:

annotation.name = Z81344
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 'Z81344' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?annotation.name=Z81344&filter.purchasability=purchasable

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