UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(benzofuran-3-yl)-5-(chloromethyl)-1,3,4-oxadiazole 2-(benzofuran-3-yl)-5-(chloromet…

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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) 2.19 2.06 -10.82 0 4 0 52 234.642 2 ↓

Analogs

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Popular Name: 5-(benzofuran-3-yl)-1,3,4-oxadiazol-2-amine 5-(benzofuran-3-yl)-1,3,4-oxadia…

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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) 1.67 -1.11 -11.2 2 5 0 78 201.185 1 ↓

Analogs

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Popular Name: 5-(benzofuran-3-yl)-1,3,4-oxadiazole-2-thiol 5-(benzofuran-3-yl)-1,3,4-oxadia…

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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) 2.58 1.28 -43.05 0 4 -1 52 217.229 1 ↓
Lo Low (pH 4.5-6) 1.85 1.82 -9.27 1 4 0 55 218.237 1 ↓

Analogs

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Popular Name: [5-(benzofuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine [5-(benzofuran-3-yl)-1,3,4-oxadi…

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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) 0.80 -1.15 -54.05 3 5 1 80 216.22 2 ↓
Hi High (pH 8-9.5) 0.80 -1.55 -11.52 2 5 0 78 215.212 2 ↓

Parameters Provided:

ring.id = 495822
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 = 495822 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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