UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39638929
39638929
39638930
39638930

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Popular Name: N-[2-(2-fluorophenyl)ethyl]-1-(3-pyridylmethyl)piperidine-4-carboxamide N-[2-(2-fluorophenyl)ethyl]-1-(3…

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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) 2.30 9.33 -53.01 2 4 1 46 342.438 6 ↓
Mid Mid (pH 6-8) 2.30 7.07 -13.77 1 4 0 45 341.43 6 ↓

Analogs

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Popular Name: 1-[(2-ethoxy-3-pyridyl)methyl]-N-[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]piperidine-4-carboxamide 1-[(2-ethoxy-3-pyridyl)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) 2.25 6.5 -46.32 3 6 1 76 398.527 8 ↓

Analogs

38733517
38733517

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Popular Name: methyl methyl

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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) 2.76 10.01 -49.35 2 7 1 82 426.537 10 ↓

Analogs

38733515
38733515

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Popular Name: methyl methyl

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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) 2.76 10.01 -50.04 2 7 1 82 426.537 10 ↓

Parameters Provided:

ring.id = 24929
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 = 24929 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=24929&filter.purchasability=annotated

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