UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[4-(4-ethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methyl-propanamide N-[4-(4-ethoxyphenyl)-1,2,5-oxad…

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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) 2.93 1.67 -16.1 1 6 0 77 275.308 5 ↓

Analogs

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Popular Name: 4-(3-fluorophenyl)-1,2,5-oxadiazol-3-amine 4-(3-fluorophenyl)-1,2,5-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) 1.82 3.35 -7.99 2 4 0 65 179.154 1 ↓

Analogs

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Popular Name: 4-(3,5-difluorophenyl)-1,2,5-oxadiazol-3-amine 4-(3,5-difluorophenyl)-1,2,5-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) 1.93 3.42 -7.58 2 4 0 65 197.144 1 ↓

Analogs

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Popular Name: 4-(2,6-dichlorophenyl)-1,2,5-oxadiazol-3-amine 4-(2,6-dichlorophenyl)-1,2,5-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) 2.94 3.99 -10.09 2 4 0 65 230.054 1 ↓

Analogs

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Popular Name: 4-(4-tert-butyl-2,6-dimethyl-phenyl)-1,2,5-oxadiazol-3-amine 4-(4-tert-butyl-2,6-dimethyl-phe…

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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) 4.13 6.59 -8.15 2 4 0 65 245.326 2 ↓

Analogs

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

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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) 2.44 3.82 -10.06 2 4 0 65 213.599 1 ↓

Parameters Provided:

ring.id = 4262
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 = 4262 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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