UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-phenyl-1-(8-quinoxalin-2-yl-4,8-diazaspiro[4.5]decan-4-yl)butan-1-one 4-phenyl-1-(8-quinoxalin-2-yl-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) 4.77 12.8 -13.91 0 5 0 49 414.553 5 ↓

Analogs

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Popular Name: 2-[4-(p-tolylsulfonyl)-4,8-diazaspiro[4.5]decan-8-yl]quinoxaline 2-[4-(p-tolylsulfonyl)-4,8-diaza…

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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 9.35 -16.27 0 6 0 66 422.554 3 ↓

Analogs

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Popular Name: 2-phenyl-1-(8-quinoxalin-2-yl-4,8-diazaspiro[4.5]decan-4-yl)ethanone 2-phenyl-1-(8-quinoxalin-2-yl-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) 3.98 11.22 -13.1 0 5 0 49 386.499 3 ↓

Analogs

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Popular Name: 2-[4-(3-phenylphenyl)sulfonyl-4,8-diazaspiro[4.5]decan-8-yl]quinoxaline 2-[4-(3-phenylphenyl)sulfonyl-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) 5.53 12.11 -17.32 0 6 0 66 484.625 4 ↓

Analogs

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Popular Name: 2-(2-methylthiazol-4-yl)-1-(8-quinoxalin-2-yl-4,8-diazaspiro[4.5]decan-4-yl)ethanone 2-(2-methylthiazol-4-yl)-1-(8-qu…

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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) 2.86 9.17 -15.68 0 6 0 62 407.543 3 ↓

Analogs

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Popular Name: cyclobutyl-(8-quinoxalin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methanone cyclobutyl-(8-quinoxalin-2-yl-1,…

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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) 3.22 9.49 -11.12 0 5 0 49 350.466 2 ↓

Parameters Provided:

ring.id = 14608
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 = 14608 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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