UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

31068979
31068979

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Popular Name: N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide N-cyclopropyl-N-[(4-fluorophenyl…

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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) 3.36 8.59 -15.46 0 6 0 67 446.544 7 ↓

Analogs

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Popular Name: N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxam N-cyclopropyl-N-[(2-fluorophenyl…

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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 10.22 -16.92 0 5 0 58 484.515 7 ↓

Analogs

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Popular Name: N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide N-cyclopropyl-N-[(4-fluorophenyl…

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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) 3.75 9.96 -14.71 0 5 0 58 430.545 6 ↓

Parameters Provided:

ring.id = 108255
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 = 108255 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=108255&filter.purchasability=annotated

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