UCSF
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Analogs

40489104
40489104
13860726
13860726

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Popular Name: N-[2-(azepan-1-yl)ethyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide N-[2-(azepan-1-yl)ethyl]-2-(4-fl…

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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 8.89 -50.02 2 5 1 56 358.437 6 ↓

Analogs

40489104
40489104
44719653
44719653
6218637
6218637
35225634
35225634

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Popular Name: N-[2-(azepan-1-yl)ethyl]-2-(2,4-dimethylphenoxy)pyridine-3-carboxamide N-[2-(azepan-1-yl)ethyl]-2-(2,4-…

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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) 4.21 10.1 -50.12 2 5 1 56 368.501 6 ↓

Analogs

40489104
40489104
44719653
44719653
52954004
52954004
35225634
35225634

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Popular Name: N-[2-(azepan-1-yl)ethyl]-2-(4-methylphenoxy)pyridine-3-carboxamide N-[2-(azepan-1-yl)ethyl]-2-(4-me…

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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) 3.83 9.48 -50.55 2 5 1 56 354.474 6 ↓

Parameters Provided:

ring.id = 602995
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 = 602995 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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