UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42454029
42454029

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Popular Name: 1-(4-chlorophenyl)sulfonylpiperidin-4-one 1-(4-chlorophenyl)sulfonylpiperi…

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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) 1.95 1.99 -11.28 1 5 0 70 288.756 2 ↓

Analogs

42454002
42454002
43419315
43419315

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Popular Name: 1-(2-fluorophenyl)sulfonylpiperidin-4-one 1-(2-fluorophenyl)sulfonylpiperi…

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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) 1.39 1.39 -12.88 1 5 0 70 272.301 2 ↓

Analogs

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Popular Name: 1-(3-nitrophenyl)sulfonylpiperidin-4-one 1-(3-nitrophenyl)sulfonylpiperid…

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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) 1.21 2.14 -15.39 1 8 0 116 299.308 3 ↓

Analogs

42454031
42454031

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Popular Name: 1-(4-bromophenyl)sulfonylpiperidin-4-one 1-(4-bromophenyl)sulfonylpiperid…

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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) 2.08 2.1 -11.19 1 5 0 70 333.207 2 ↓

Analogs

42453991
42453991
42454014
42454014
42459489
42459489
42459491
42459491
42459604
42459604

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Popular Name: 1-(2,4-difluorophenyl)sulfonylpiperidin-4-one 1-(2,4-difluorophenyl)sulfonylpi…

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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) 1.53 1.39 -10.05 1 5 0 70 290.291 2 ↓

Parameters Provided:

ring.id = 46618
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 = 46618 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=46618&filter.purchasability=annotated

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