UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5R)-8-[(3,5-dimethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.6]undecan-9-one (5R)-8-[(3,5-dimethoxyphenyl)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) 2.22 6.6 -10.56 0 5 0 48 319.401 4 ↓

Analogs

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Popular Name: (5S)-8-[(3,5-dimethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.6]undecan-9-one (5S)-8-[(3,5-dimethoxyphenyl)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) 2.22 6.62 -10.97 0 5 0 48 319.401 4 ↓

Analogs

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Popular Name: (5R)-8-(1-naphthylmethyl)-1-oxa-8-azaspiro[4.6]undecan-9-one (5R)-8-(1-naphthylmethyl)-1-oxa-…

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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) 3.34 9.67 -8.45 0 3 0 30 309.409 2 ↓

Analogs

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Popular Name: (5S)-8-(1-naphthylmethyl)-1-oxa-8-azaspiro[4.6]undecan-9-one (5S)-8-(1-naphthylmethyl)-1-oxa-…

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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) 3.34 10.76 -9.04 0 3 0 30 309.409 2 ↓

Analogs

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Popular Name: (5R)-8-[(6-chloro-2-pyridyl)methyl]-1-oxa-8-azaspiro[4.6]undecan-9-one (5R)-8-[(6-chloro-2-pyridyl)meth…

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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) 2.03 6.61 -14.57 0 4 0 42 294.782 2 ↓

Analogs

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Popular Name: (5S)-8-[(6-chloro-2-pyridyl)methyl]-1-oxa-8-azaspiro[4.6]undecan-9-one (5S)-8-[(6-chloro-2-pyridyl)meth…

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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) 2.03 6.62 -14.82 0 4 0 42 294.782 2 ↓

Analogs

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Popular Name: (5R)-8-[(1-benzylimidazol-2-yl)methyl]-1-oxa-8-azaspiro[4.6]undecan-9-one (5R)-8-[(1-benzylimidazol-2-yl)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) 1.94 10.01 -15.52 0 5 0 47 339.439 4 ↓
Mid Mid (pH 6-8) 1.94 10.33 -32.6 1 5 1 49 340.447 4 ↓

Analogs

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Popular Name: (5S)-8-[(1-benzylimidazol-2-yl)methyl]-1-oxa-8-azaspiro[4.6]undecan-9-one (5S)-8-[(1-benzylimidazol-2-yl)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) 1.94 9.98 -16.1 0 5 0 47 339.439 4 ↓
Mid Mid (pH 6-8) 1.94 10.97 -33.28 1 5 1 49 340.447 4 ↓

Analogs

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Popular Name: 1-oxa-8-azaspiro[4.6]undecan-9-one 1-oxa-8-azaspiro[4.6]undecan-9-one

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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) 0.54 1.84 -6.84 1 3 0 38 169.224 0 ↓

Analogs

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Popular Name: 1-oxa-8-azaspiro[4.6]undecan-9-one 1-oxa-8-azaspiro[4.6]undecan-9-one

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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) 0.54 1.85 -6.86 1 3 0 38 169.224 0 ↓

Parameters Provided:

ring.id = 29134
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 = 29134 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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