UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 8-azaspiro[4.5]decan-8-yl-[(2S)-2-piperidyl]methanone 8-azaspiro[4.5]decan-8-yl-[(2S)-…

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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) 2.23 6.73 -36.19 2 3 1 37 251.394 1 ↓
Hi High (pH 8-9.5) 2.23 5.46 -6.41 1 3 0 32 250.386 1 ↓

Analogs

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Popular Name: 8-azaspiro[4.5]decan-8-yl-[(2R)-2-piperidyl]methanone 8-azaspiro[4.5]decan-8-yl-[(2R)-…

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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) 2.23 6.74 -36.36 2 3 1 37 251.394 1 ↓
Hi High (pH 8-9.5) 2.23 5.5 -7.06 1 3 0 32 250.386 1 ↓

Analogs

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Popular Name: 8-azaspiro[4.5]decan-8-yl-[(2R,6R)-6-methyl-2-piperidyl]methanone 8-azaspiro[4.5]decan-8-yl-[(2R,6…

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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) 2.56 7.44 -34.44 2 3 1 37 265.421 1 ↓
Hi High (pH 8-9.5) 2.56 6.24 -6.96 1 3 0 32 264.413 1 ↓

Analogs

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Popular Name: 8-azaspiro[4.5]decan-8-yl-[(2R,6S)-6-methyl-2-piperidyl]methanone 8-azaspiro[4.5]decan-8-yl-[(2R,6…

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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) 2.56 6.96 -36.91 2 3 1 37 265.421 1 ↓
Hi High (pH 8-9.5) 2.56 5.82 -6.71 1 3 0 32 264.413 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-azaspiro[4.5]decan-8-yl-[(2S,6R)-6-methyl-2-piperidyl]methanone 8-azaspiro[4.5]decan-8-yl-[(2S,6…

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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) 2.56 6.95 -36.82 2 3 1 37 265.421 1 ↓
Hi High (pH 8-9.5) 2.56 5.83 -5.49 1 3 0 32 264.413 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-azaspiro[4.5]decan-8-yl-[(2S,6S)-6-methyl-2-piperidyl]methanone 8-azaspiro[4.5]decan-8-yl-[(2S,6…

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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) 2.56 7.42 -34.36 2 3 1 37 265.421 1 ↓
Hi High (pH 8-9.5) 2.56 6.22 -6.39 1 3 0 32 264.413 1 ↓

Analogs

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Popular Name: 8-azaspiro[4.5]decan-8-yl-[(2S,3R)-3-methyl-2-piperidyl]methanone 8-azaspiro[4.5]decan-8-yl-[(2S,3…

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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) 2.47 7.05 -40.07 2 3 1 37 265.421 1 ↓
Hi High (pH 8-9.5) 2.47 5.63 -5.1 1 3 0 32 264.413 1 ↓

Analogs

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Popular Name: 8-azaspiro[4.5]decan-8-yl-[(2S,3S)-3-methyl-2-piperidyl]methanone 8-azaspiro[4.5]decan-8-yl-[(2S,3…

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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) 2.47 7.15 -36.6 2 3 1 37 265.421 1 ↓
Hi High (pH 8-9.5) 2.47 5.88 -6.42 1 3 0 32 264.413 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-azaspiro[4.5]decan-8-yl-[(2R,3R)-3-methyl-2-piperidyl]methanone 8-azaspiro[4.5]decan-8-yl-[(2R,3…

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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) 2.47 7.22 -36.92 2 3 1 37 265.421 1 ↓
Hi High (pH 8-9.5) 2.47 5.98 -7.33 1 3 0 32 264.413 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-azaspiro[4.5]decan-8-yl-[(2R,3S)-3-methyl-2-piperidyl]methanone 8-azaspiro[4.5]decan-8-yl-[(2R,3…

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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) 2.47 7.05 -41.53 2 3 1 37 265.421 1 ↓
Hi High (pH 8-9.5) 2.47 5.5 -5.76 1 3 0 32 264.413 1 ↓

Parameters Provided:

ring.id = 319686
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 = 319686 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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