UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(4-hydroxyimino-1-piperidyl)-N-(o-tolyl)acetamide 2-(4-hydroxyimino-1-piperidyl)-N…

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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) 1.94 4.6 -51.5 3 5 1 66 262.333 3 ↓
Hi High (pH 8-9.5) 1.94 2.41 -15.25 2 5 0 65 261.325 3 ↓
Hi High (pH 8-9.5) 1.94 5.65 -72.2 2 5 0 69 261.325 3 ↓

Analogs

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Popular Name: N-(2-fluorophenyl)-2-(4-hydroxyimino-1-piperidyl)acetamide N-(2-fluorophenyl)-2-(4-hydroxyi…

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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) 1.65 3.89 -49.51 3 5 1 66 266.296 3 ↓
Hi High (pH 8-9.5) 1.65 1.71 -13.18 2 5 0 65 265.288 3 ↓
Hi High (pH 8-9.5) 1.65 4.94 -70.01 2 5 0 69 265.288 3 ↓

Analogs

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Popular Name: N-(3-chlorophenyl)-2-(4-hydroxyimino-1-piperidyl)acetamide N-(3-chlorophenyl)-2-(4-hydroxyi…

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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 4.29 -52.5 3 5 1 66 282.751 3 ↓
Hi High (pH 8-9.5) 2.19 2.1 -14.18 2 5 0 65 281.743 3 ↓
Hi High (pH 8-9.5) 2.19 5.34 -72.8 2 5 0 69 281.743 3 ↓

Parameters Provided:

ring.id = 46692
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 = 46692 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=46692&filter.purchasability=annotated

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