UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(3-nitrophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide N-(3-nitrophenyl)-2-(3-phenyl-1,…

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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) 4.50 -0.05 -24.54 1 8 0 113 386.367 5 ↓

Analogs

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Popular Name: N-(2-ethoxyphenyl)-2-(3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl)benzamide N-(2-ethoxyphenyl)-2-(3-(2-fluor…

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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) 5.07 0.5 -20.71 1 6 0 77 403.413 6 ↓

Analogs

2398865
2398865

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Popular Name: 2-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)-N-phenylbenzamide 2-(3-(4-fluorophenyl)-1,2,4-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) 4.73 0.17 -14.83 1 5 0 68 359.36 4 ↓

Analogs

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Popular Name: N-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide N-(4-chlorophenyl)-2-(3-phenyl-1…

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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) 5.25 -0.54 -18.51 1 5 0 68 375.815 4 ↓

Analogs

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Popular Name: N-(4-ethoxyphenyl)-2-(3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)benzamide N-(4-ethoxyphenyl)-2-(3-(4-metho…

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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) 5.06 -0.34 -20.31 1 7 0 86 415.449 7 ↓

Analogs

2398865
2398865

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Popular Name: 2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenyl-benzamide 2-[3-(2-fluorophenyl)-1,2,4-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) 4.68 0.16 -20.37 1 5 0 68 359.36 4 ↓

Parameters Provided:

ring.id = 1496
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 = 1496 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=1496&filter.purchasability=annotated

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