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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (2S)-2-(8-azaspiro[4.5]decan-8-yl)-1-phenyl-propan-1-one (2S)-2-(8-azaspiro[4.5]decan-8-y…

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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) 3.71 10.81 -35.84 1 2 1 22 272.412 3 ↓
Mid Mid (pH 6-8) 3.71 8.46 -6.26 0 2 0 20 271.404 3 ↓

Analogs

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Popular Name: (2R)-2-(8-azaspiro[4.5]decan-8-yl)-1-phenyl-propan-1-one (2R)-2-(8-azaspiro[4.5]decan-8-y…

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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) 3.71 10.84 -35.93 1 2 1 22 272.412 3 ↓
Mid Mid (pH 6-8) 3.71 8.7 -6.49 0 2 0 20 271.404 3 ↓

Analogs

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Popular Name: 4-[2-(8-azaspiro[4.5]decan-8-yl)acetyl]benzonitrile 4-[2-(8-azaspiro[4.5]decan-8-yl)…

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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) 3.13 10.88 -49.59 1 3 1 45 283.395 3 ↓
Mid Mid (pH 6-8) 3.13 8.68 -8.8 0 3 0 44 282.387 3 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-1-(4-hydroxyphenyl)ethanone 2-(8-azaspiro[4.5]decan-8-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) 2.90 7.65 -43.3 2 3 1 42 274.384 3 ↓
Hi High (pH 8-9.5) 2.90 6.24 -42.51 0 3 -1 43 272.368 3 ↓
Mid Mid (pH 6-8) 2.90 5.46 -7.85 1 3 0 41 273.376 3 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-1-(3-fluorophenyl)ethanone 2-(8-azaspiro[4.5]decan-8-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) 3.52 10.55 -40.44 1 2 1 22 276.375 3 ↓
Mid Mid (pH 6-8) 3.52 8.36 -5.29 0 2 0 20 275.367 3 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-1-(2,4-difluorophenyl)ethanone 2-(8-azaspiro[4.5]decan-8-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) 3.63 10.63 -48.1 1 2 1 22 294.365 3 ↓
Mid Mid (pH 6-8) 3.63 8.44 -9.64 0 2 0 20 293.357 3 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)ethanone 2-(8-azaspiro[4.5]decan-8-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) 4.14 11.11 -42.32 1 2 1 22 337.281 3 ↓
Mid Mid (pH 6-8) 4.14 8.92 -7.58 0 2 0 20 336.273 3 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-1-(p-tolyl)ethanone 2-(8-azaspiro[4.5]decan-8-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) 3.82 11.16 -40.21 1 2 1 22 272.412 3 ↓
Mid Mid (pH 6-8) 3.82 8.97 -6.52 0 2 0 20 271.404 3 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-1-(4-methoxyphenyl)ethanone 2-(8-azaspiro[4.5]decan-8-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) 3.43 9.8 -41.77 1 3 1 31 288.411 4 ↓
Mid Mid (pH 6-8) 3.43 7.61 -7.14 0 3 0 30 287.403 4 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-1-phenyl-ethanone 2-(8-azaspiro[4.5]decan-8-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) 3.38 10.48 -40.17 1 2 1 22 258.385 3 ↓
Mid Mid (pH 6-8) 3.38 8.29 -6.61 0 2 0 20 257.377 3 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluorophenyl)ethanone 2-(8-azaspiro[4.5]decan-8-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) 3.49 10.56 -44.34 1 2 1 22 276.375 3 ↓
Mid Mid (pH 6-8) 3.49 8.37 -10.58 0 2 0 20 275.367 3 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)ethanone 2-(8-azaspiro[4.5]decan-8-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) 3.54 10.55 -44.22 1 2 1 22 276.375 3 ↓
Mid Mid (pH 6-8) 3.54 8.36 -6.35 0 2 0 20 275.367 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-1-(2,5-difluorophenyl)ethanone 2-(8-azaspiro[4.5]decan-8-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) 3.63 10.63 -43.2 1 2 1 22 294.365 3 ↓
Mid Mid (pH 6-8) 3.63 8.44 -7.76 0 2 0 20 293.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-1-(4-methylsulfanylphenyl)ethanone 2-(8-azaspiro[4.5]decan-8-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) 3.81 11.5 -41.93 1 2 1 22 304.479 4 ↓
Mid Mid (pH 6-8) 3.81 9.31 -6.59 0 2 0 20 303.471 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-1-(2-methoxyphenyl)ethanone 2-(8-azaspiro[4.5]decan-8-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) 3.38 10.95 -40.95 1 3 1 31 288.411 4 ↓
Mid Mid (pH 6-8) 3.38 8.77 -9.5 0 3 0 30 287.403 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-1-(3-methoxyphenyl)ethanone 2-(8-azaspiro[4.5]decan-8-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) 3.41 9.78 -43.81 1 3 1 31 288.411 4 ↓
Mid Mid (pH 6-8) 3.41 7.59 -9.38 0 3 0 30 287.403 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-1-(2-chlorophenyl)ethanone 2-(8-azaspiro[4.5]decan-8-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) 4.01 11 -42.58 1 2 1 22 292.83 3 ↓
Mid Mid (pH 6-8) 4.01 8.8 -7.99 0 2 0 20 291.822 3 ↓

Analogs

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Popular Name: (2S)-2-(8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)propan-1-one (2S)-2-(8-azaspiro[4.5]decan-8-y…

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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) 3.87 10.88 -39.27 1 2 1 22 290.402 3 ↓
Mid Mid (pH 6-8) 3.87 8.53 -5.74 0 2 0 20 289.394 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)propan-1-one (2R)-2-(8-azaspiro[4.5]decan-8-y…

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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) 3.87 10.91 -39.38 1 2 1 22 290.402 3 ↓
Mid Mid (pH 6-8) 3.87 8.77 -5.87 0 2 0 20 289.394 3 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-1-(3,4-difluorophenyl)ethanone 2-(8-azaspiro[4.5]decan-8-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) 3.63 10.6 -45.16 1 2 1 22 294.365 3 ↓
Mid Mid (pH 6-8) 3.63 8.41 -5.67 0 2 0 20 293.357 3 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-1-(2,6-difluorophenyl)ethanone 2-(8-azaspiro[4.5]decan-8-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) 3.61 10.52 -35 1 2 1 22 294.365 3 ↓
Mid Mid (pH 6-8) 3.61 8.32 -8.54 0 2 0 20 293.357 3 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-1-(2,4-dihydroxyphenyl)ethanone 2-(8-azaspiro[4.5]decan-8-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) 2.81 6.11 -45.17 3 4 1 62 290.383 3 ↓
Hi High (pH 8-9.5) 2.81 4.7 -43.67 1 4 -1 64 288.367 3 ↓
Hi High (pH 8-9.5) 2.81 4.94 -53.9 1 4 -1 64 288.367 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-1-(3,4-dihydroxyphenyl)ethanone 2-(8-azaspiro[4.5]decan-8-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) 2.41 5.59 -47.67 3 4 1 62 290.383 3 ↓
Hi High (pH 8-9.5) 2.41 4.32 -44.29 1 4 -1 64 288.367 3 ↓
Mid Mid (pH 6-8) 2.41 3.39 -10.92 2 4 0 61 289.375 3 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-1-(o-tolyl)ethanone 2-(8-azaspiro[4.5]decan-8-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) 3.78 11.16 -39.8 1 2 1 22 272.412 3 ↓
Mid Mid (pH 6-8) 3.78 8.96 -5.6 0 2 0 20 271.404 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-1-(m-tolyl)ethanone 2-(8-azaspiro[4.5]decan-8-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) 3.80 11.15 -40.22 1 2 1 22 272.412 3 ↓
Mid Mid (pH 6-8) 3.80 8.96 -6.69 0 2 0 20 271.404 3 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-1-(5-fluoro-2-hydroxy-phenyl)ethanone 2-(8-azaspiro[4.5]decan-8-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) 3.46 9 -41.94 2 3 1 42 292.374 3 ↓
Hi High (pH 8-9.5) 3.46 7.81 -46.16 0 3 -1 43 290.358 3 ↓
Mid Mid (pH 6-8) 3.46 10 -50.6 1 3 0 45 291.366 3 ↓

Parameters Provided:

ring.id = 318568
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 = 318568 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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