UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[(4-methoxyphenoxy)methyl]-3-[[methyl(propyl)amino]methyl]-1,3,4-oxadiazole-2-thione 5-[(4-methoxyphenoxy)methyl]-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) 2.59 6 -41.35 1 6 1 54 324.426 8 ↓
Hi High (pH 8-9.5) 2.59 3.41 -10.92 0 6 0 53 323.418 8 ↓

Analogs

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Popular Name: 2-[[5-[(3-methylphenoxy)methyl]-2-thioxo-1,3,4-oxadiazol-3-yl]methyl-propyl-amino]acetonitrile 2-[[5-[(3-methylphenoxy)methyl]-…

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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) 2.74 4.95 -15.26 0 6 0 67 332.429 8 ↓

Analogs

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Popular Name: 2-[[5-[(4-methoxyphenoxy)methyl]-2-thioxo-1,3,4-oxadiazol-3-yl]methyl-propyl-amino]acetonitrile 2-[[5-[(4-methoxyphenoxy)methyl]…

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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) 2.37 3.55 -16.42 0 7 0 76 348.428 9 ↓

Analogs

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Popular Name: 2-[[5-[(4-chlorophenoxy)methyl]-2-thioxo-1,3,4-oxadiazol-3-yl]methyl-propyl-amino]acetonitrile 2-[[5-[(4-chlorophenoxy)methyl]-…

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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) 3.00 4.79 -15.34 0 6 0 67 352.847 8 ↓

Parameters Provided:

ring.id = 188721
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 = 188721 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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