UCSF
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Analogs

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Popular Name: 8-AZAGUANINE 8-AZAGUANINE

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-15-O Plasmodium Falciparum (cluster #15 Of 22), Other Other 6600 0.66 Functional ≤ 10μM
Z80945-3-O HEp-2 (Laryngeal Carcinoma Cells) (cluster #3 Of 4), Other Other 2000 0.73 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) -0.61 -3.1 -41.91 3 7 -1 116 151.109 0 ↓
Mid Mid (pH 6-8) -0.61 -3.11 -108.43 2 7 -2 115 150.101 0 ↓
Mid Mid (pH 6-8) -0.61 -3.21 -42.03 3 7 -1 116 151.109 0 ↓

Analogs

16931817
16931817

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Popular Name: 7H-1,2,3-Triazolo(4,5-d)pyrimidin-7-one, 5-amino-3,4-dihydro-3-beta-D-ribofuranosyl-; 7H-v-Triazolo(4,5-d)pyrimidin-7-one, 5-amino-3,6-dihydro-3-beta-D-ribofuranosyl; 8-Azaguanosine; Azaguanosine; BRN 0046037; LS-156823; NSC 130283; NSC 46788 7H-1,2,3-Triazolo(4,5-d)pyrimidi…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80945-3-O HEp-2 (Laryngeal Carcinoma Cells) (cluster #3 Of 4), Other Other 2000 0.40 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) -2.16 -7.98 -23.18 6 11 0 172 284.232 2 ↓

Analogs

34478711
34478711
34582836
34582836

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Popular Name: 1H-Imidazo[4,5-c]pyridin-4-amine 1H-Imidazo[4,5-c]pyridin-4-amine

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80945-3-O HEp-2 (Laryngeal Carcinoma Cells) (cluster #3 Of 4), Other Other 7000 0.72 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) -0.06 1.14 -9.35 3 4 0 68 134.142 0 ↓
Lo Low (pH 4.5-6) -0.06 1.59 -40.51 4 4 1 69 135.15 0 ↓

Parameters Provided:

target.name = Z80945-3-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 'Z80945-3-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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