UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 8-[(3-vinylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one 8-[(3-vinylphenyl)methyl]-2,8-di…

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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) 2.28 7.17 -51.64 2 3 1 34 271.384 3 ↓

Analogs

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Popular Name: 8-[(3-allyl-4-hydroxy-phenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one 8-[(3-allyl-4-hydroxy-phenyl)met…

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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) 2.19 5.27 -54.48 3 4 1 54 301.41 4 ↓

Analogs

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Popular Name: 8-[(2-allyloxy-5-chloro-phenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one 8-[(2-allyloxy-5-chloro-phenyl)m…

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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 7.53 -48.32 2 4 1 43 335.855 5 ↓

Analogs

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Popular Name: 8-[(3,4,5-trimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one 8-[(3,4,5-trimethoxyphenyl)methy…

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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) 1.08 5.21 -62.53 2 6 1 61 335.424 5 ↓

Analogs

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Popular Name: [2,6-dimethyl-4-[(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)methyl]phenyl] [2,6-dimethyl-4-[(3-oxo-2,8-diaz…

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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) 1.76 8.55 -58.23 2 5 1 60 331.436 4 ↓

Parameters Provided:

ring.id = 398587
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 = 398587 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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