UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3-(2-aminophenyl)(2,4,5-oxadiazolyl))(4-methoxyphenyl)amine (3-(2-aminophenyl)(2,4,5-oxadiaz…

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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) 3.42 1.32 -9.75 3 6 0 86 282.303 4 ↓

Analogs

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Popular Name: (3-(2-aminophenyl)(2,4,5-oxadiazolyl))(4-chlorophenyl)amine (3-(2-aminophenyl)(2,4,5-oxadiaz…

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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) 4.04 2.53 -8.69 3 5 0 77 286.722 3 ↓

Analogs

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Popular Name: N-(4-chlorophenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazol-2-amine N-(4-chlorophenyl)-5-(4-nitrophe…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GSK3B-1-E Glycogen Synthase Kinase-3 Beta (cluster #1 Of 7), Eukaryotic Eukaryotes 811 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GSK3B_HUMAN P49841 Glycogen Synthase Kinase-3 Beta, Human 811 0.39 Binding ≤ 1μM
GSK3B_HUMAN P49841 Glycogen Synthase Kinase-3 Beta, Human 811 0.39 Binding ≤ 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) 4.56 5.32 -9.27 1 7 0 97 316.704 4 ↓

Analogs

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Popular Name: N-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine N-(4-chlorophenyl)-5-(4-methoxyp…

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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) 4.66 3.91 -8.31 1 5 0 60 301.733 4 ↓

Analogs

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Popular Name: 4-[5-(4-chloroanilino)-1,3,4-oxadiazol-2-yl]phenol 4-[5-(4-chloroanilino)-1,3,4-oxa…

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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) 4.12 1.77 -8.96 2 5 0 71 287.706 3 ↓

Analogs

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Popular Name: N-(4-methoxyphenyl)-5-phenyl-1,3,4-oxadiazol-2-amine N-(4-methoxyphenyl)-5-phenyl-1,3…

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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) 3.98 3.43 -9.33 1 5 0 60 267.288 4 ↓

Parameters Provided:

ring.id = 18727
filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 18727 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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