UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-oxa-9-azaspiro[5.5]undecane-8,10-dione 3-oxa-9-azaspiro[5.5]undecane-8,…

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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) -0.40 0.46 -9.7 1 4 0 55 183.207 0 ↓

Analogs

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Popular Name: (2R)-2-ethyl-2-methyl-3-oxa-9-azaspiro[5.5]undecane-8,10-dione (2R)-2-ethyl-2-methyl-3-oxa-9-az…

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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) 0.91 2.42 -9.45 1 4 0 55 225.288 1 ↓

Analogs

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Popular Name: (2S)-2-ethyl-2-methyl-3-oxa-9-azaspiro[5.5]undecane-8,10-dione (2S)-2-ethyl-2-methyl-3-oxa-9-az…

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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) 0.91 2.45 -9.45 1 4 0 55 225.288 1 ↓

Analogs

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Popular Name: (2R)-2-ethyl-3-oxa-9-azaspiro[5.5]undecane-8,10-dione (2R)-2-ethyl-3-oxa-9-azaspiro[5.…

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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) 0.47 2.04 -9.51 1 4 0 55 211.261 1 ↓

Analogs

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Popular Name: (2S)-2-ethyl-3-oxa-9-azaspiro[5.5]undecane-8,10-dione (2S)-2-ethyl-3-oxa-9-azaspiro[5.…

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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) 0.47 2.05 -9.51 1 4 0 55 211.261 1 ↓

Analogs

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Popular Name: (2R)-2-methyl-3-oxa-9-azaspiro[5.5]undecane-8,10-dione (2R)-2-methyl-3-oxa-9-azaspiro[5…

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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) -0.04 1.22 -9.68 1 4 0 55 197.234 0 ↓

Analogs

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Popular Name: (2S)-2-methyl-3-oxa-9-azaspiro[5.5]undecane-8,10-dione (2S)-2-methyl-3-oxa-9-azaspiro[5…

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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) -0.04 1.22 -9.6 1 4 0 55 197.234 0 ↓

Analogs

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Popular Name: (2S)-2-isopropyl-3-oxa-9-azaspiro[5.5]undecane-8,10-dione (2S)-2-isopropyl-3-oxa-9-azaspir…

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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) 0.71 2.58 -9.35 1 4 0 55 225.288 1 ↓

Analogs

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Popular Name: (2R)-2-isopropyl-3-oxa-9-azaspiro[5.5]undecane-8,10-dione (2R)-2-isopropyl-3-oxa-9-azaspir…

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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) 0.71 2.64 -9.33 1 4 0 55 225.288 1 ↓

Analogs

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Popular Name: (2R)-2-propyl-3-oxa-9-azaspiro[5.5]undecane-8,10-dione (2R)-2-propyl-3-oxa-9-azaspiro[5…

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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) 1.02 2.82 -9.4 1 4 0 55 225.288 2 ↓

Analogs

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Popular Name: (2S)-2-propyl-3-oxa-9-azaspiro[5.5]undecane-8,10-dione (2S)-2-propyl-3-oxa-9-azaspiro[5…

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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) 1.02 2.82 -9.41 1 4 0 55 225.288 2 ↓

Analogs

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Popular Name: 2,2-dimethyl-3-oxa-9-azaspiro[5.5]undecane-8,10-dione 2,2-dimethyl-3-oxa-9-azaspiro[5.…

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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) 0.41 1.74 -9.56 1 4 0 55 211.261 0 ↓

Parameters Provided:

ring.id = 316907
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 = 316907 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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