UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

26417088
26417088

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Popular Name: 2-phenyl-N-[[4-(1-piperidyl)phenyl]methyl]acetamide 2-phenyl-N-[[4-(1-piperidyl)phen…

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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) 3.63 8.59 -8.58 1 3 0 32 308.425 5 ↓

Analogs

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Popular Name: 2-(2-nitrophenyl)-N-[[4-(1-piperidyl)phenyl]methyl]acetamide 2-(2-nitrophenyl)-N-[[4-(1-piper…

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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) 3.54 8.92 -13.84 1 6 0 78 353.422 6 ↓

Analogs

34929269
34929269

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Popular Name: 2-(3-methoxyphenyl)-N-methyl-N-[[4-(1-piperidyl)phenyl]methyl]acetamide 2-(3-methoxyphenyl)-N-methyl-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) 3.91 11.1 -12.39 0 4 0 33 352.478 6 ↓
Lo Low (pH 4.5-6) 3.91 11.73 -37.55 1 4 1 34 353.486 6 ↓

Parameters Provided:

ring.id = 149774
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 = 149774 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=149774&filter.purchasability=annotated

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