UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[[(3S,6R)-6-methyl-3-piperidyl]methyl]-3-azaspiro[5.5]undecane-2,4-dione 3-[[(3S,6R)-6-methyl-3-piperidyl…

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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) 2.26 7.07 -36.01 2 4 1 54 293.431 2 ↓

Analogs

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Popular Name: 3-[[(3S,6S)-6-methyl-3-piperidyl]methyl]-3-azaspiro[5.5]undecane-2,4-dione 3-[[(3S,6S)-6-methyl-3-piperidyl…

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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) 2.26 7.36 -35.08 2 4 1 54 293.431 2 ↓

Analogs

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Popular Name: 3-[[(3R,6R)-6-methyl-3-piperidyl]methyl]-3-azaspiro[5.5]undecane-2,4-dione 3-[[(3R,6R)-6-methyl-3-piperidyl…

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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) 2.26 7.36 -34.77 2 4 1 54 293.431 2 ↓

Analogs

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Popular Name: 3-[[(3R,6S)-6-methyl-3-piperidyl]methyl]-3-azaspiro[5.5]undecane-2,4-dione 3-[[(3R,6S)-6-methyl-3-piperidyl…

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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) 2.26 7.06 -35.67 2 4 1 54 293.431 2 ↓

Analogs

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Popular Name: 9-[2-(2-hydroxyethoxy)ethyl]-9-azaspiro[5.5]undecane-8,10-dione 9-[2-(2-hydroxyethoxy)ethyl]-9-a…

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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) 0.63 3.69 -11.66 1 5 0 67 269.341 5 ↓

Analogs

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Popular Name: 3-[(3-aminophenyl)methyl]-3-azaspiro[5.5]undecane-2,4-dione 3-[(3-aminophenyl)methyl]-3-azas…

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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) 1.83 6.86 -8.96 2 4 0 63 286.375 2 ↓

Analogs

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Popular Name: 3-[(1S)-3-amino-1-ethyl-propyl]-3-azaspiro[5.5]undecane-2,4-dione 3-[(1S)-3-amino-1-ethyl-propyl]-…

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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) 1.32 5.89 -44.44 3 4 1 65 267.393 4 ↓

Analogs

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Popular Name: 3-[(1R)-3-amino-1-ethyl-propyl]-3-azaspiro[5.5]undecane-2,4-dione 3-[(1R)-3-amino-1-ethyl-propyl]-…

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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) 1.32 5.89 -42.71 3 4 1 65 267.393 4 ↓

Analogs

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Popular Name: 3-[(2R)-3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]-3-azaspiro[5.5]undecane-2,4-dione 3-[(2R)-3-(2,6-dimethylphenoxy)-…

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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) 3.21 8.62 -10.68 1 5 0 67 359.466 5 ↓

Analogs

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Popular Name: 3-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]-3-azaspiro[5.5]undecane-2,4-dione 3-[(2S)-3-(2,6-dimethylphenoxy)-…

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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) 3.21 8.68 -10.5 1 5 0 67 359.466 5 ↓

Analogs

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

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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) 2.15 4.82 -8.43 1 3 0 46 223.316 2 ↓

Analogs

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

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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 6.28 -10.1 1 3 0 46 257.333 1 ↓

Analogs

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Popular Name: LS-22748 LS-22748

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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) 1.37 3.43 -8.3 1 3 0 46 195.262 0 ↓

Analogs

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Popular Name: LS-22748 LS-22748

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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) 1.37 3.44 -8.27 1 3 0 46 195.262 0 ↓

Analogs

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Popular Name: (4R)-4-methyl-9-azaspiro[5.5]undecane-8,10-dione (4R)-4-methyl-9-azaspiro[5.5]und…

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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) 1.14 3.41 -8.49 1 3 0 46 195.262 0 ↓

Analogs

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Popular Name: (4S)-4-methyl-9-azaspiro[5.5]undecane-8,10-dione (4S)-4-methyl-9-azaspiro[5.5]und…

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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) 1.14 3.4 -8.5 1 3 0 46 195.262 0 ↓

Analogs

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Popular Name: (1R,4R)-1-isopropyl-4-methyl-9-azaspiro[5.5]undecane-8,10-dione (1R,4R)-1-isopropyl-4-methyl-9-a…

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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) 2.88 4.6 -7.75 1 3 0 46 237.343 1 ↓

Analogs

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Popular Name: (1R,4S)-1-isopropyl-4-methyl-9-azaspiro[5.5]undecane-8,10-dione (1R,4S)-1-isopropyl-4-methyl-9-a…

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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) 2.88 4.97 -7.49 1 3 0 46 237.343 1 ↓

Analogs

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Popular Name: (1S,4R)-1-isopropyl-4-methyl-9-azaspiro[5.5]undecane-8,10-dione (1S,4R)-1-isopropyl-4-methyl-9-a…

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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) 2.88 4.92 -7.37 1 3 0 46 237.343 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4S)-1-isopropyl-4-methyl-9-azaspiro[5.5]undecane-8,10-dione (1S,4S)-1-isopropyl-4-methyl-9-a…

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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) 2.88 4.75 -7.32 1 3 0 46 237.343 1 ↓

Analogs

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

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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) 0.90 3.41 -8.45 1 3 0 46 195.262 0 ↓

Analogs

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

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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) 1.59 4.06 -8.41 1 3 0 46 209.289 1 ↓

Analogs

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Popular Name: (4R)-2,2,4-trimethyl-9-azaspiro[5.5]undecane-8,10-dione (4R)-2,2,4-trimethyl-9-azaspiro[…

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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) 1.79 4.43 -8.42 1 3 0 46 223.316 0 ↓

Analogs

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Popular Name: (4S)-2,2,4-trimethyl-9-azaspiro[5.5]undecane-8,10-dione (4S)-2,2,4-trimethyl-9-azaspiro[…

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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) 1.79 4.43 -8.4 1 3 0 46 223.316 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.40 4.52 -8.38 1 3 0 46 223.316 1 ↓

Analogs

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Popular Name: 3-(2-amino-1,1-dimethyl-ethyl)-3-azaspiro[5.5]undecane-2,4-dione 3-(2-amino-1,1-dimethyl-ethyl)-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) 0.99 4.98 -40.97 3 4 1 65 253.366 2 ↓
Hi High (pH 8-9.5) 0.99 4.26 -5.89 2 4 0 63 252.358 2 ↓

Analogs

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Popular Name: 2-(8,10-dioxo-9-azaspiro[5.5]undecan-9-yl)thioacetamide 2-(8,10-dioxo-9-azaspiro[5.5]und…

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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) 0.29 4.52 -12.89 2 4 0 63 254.355 2 ↓

Analogs

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Popular Name: 3-(1,1-dimethylprop-2-ynyl)-3-azaspiro[5.5]undecane-2,4-dione 3-(1,1-dimethylprop-2-ynyl)-3-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) 2.35 7.47 -7.96 0 3 0 37 247.338 1 ↓

Analogs

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Popular Name: 5-(8,10-dioxo-9-azaspiro[5.5]undecan-9-yl)pentanoic 5-(8,10-dioxo-9-azaspiro[5.5]und…

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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) 1.67 8.24 -53.22 0 5 -1 78 280.344 5 ↓
Lo Low (pH 4.5-6) 1.67 6.27 -11.73 1 5 0 75 281.352 5 ↓

Analogs

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Popular Name: (4S)-4-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)pentanoic (4S)-4-(2,4-dioxo-3-azaspiro[5.5…

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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) 1.49 8.32 -51.58 0 5 -1 78 280.344 4 ↓

Analogs

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Popular Name: (4R)-4-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)pentanoic (4R)-4-(2,4-dioxo-3-azaspiro[5.5…

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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) 1.49 8.17 -56.55 0 5 -1 78 280.344 4 ↓

Analogs

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Popular Name: 3-(3-fluoro-4-hydroxy-phenyl)-3-azaspiro[5.5]undecane-2,4-dione 3-(3-fluoro-4-hydroxy-phenyl)-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) 1.61 5.55 -12.41 1 4 0 58 291.322 1 ↓
Hi High (pH 8-9.5) 1.61 6.31 -55.22 0 4 -1 60 290.314 1 ↓

Analogs

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Popular Name: 3-[4-(hydroxymethyl)phenyl]-3-azaspiro[5.5]undecane-2,4-dione 3-[4-(hydroxymethyl)phenyl]-3-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) 1.07 5.67 -13.81 1 4 0 58 287.359 2 ↓

Analogs

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Popular Name: 3-(3-hydroxy-2-methyl-phenyl)-3-azaspiro[5.5]undecane-2,4-dione 3-(3-hydroxy-2-methyl-phenyl)-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) 2.08 6.59 -12.71 1 4 0 58 287.359 1 ↓

Analogs

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Popular Name: 3-(3-hydroxy-4-methyl-phenyl)-3-azaspiro[5.5]undecane-2,4-dione 3-(3-hydroxy-4-methyl-phenyl)-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) 2.10 6.25 -12.78 1 4 0 58 287.359 1 ↓

Analogs

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Popular Name: 3-(2-fluoro-4-hydroxy-phenyl)-3-azaspiro[5.5]undecane-2,4-dione 3-(2-fluoro-4-hydroxy-phenyl)-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) 1.35 5.62 -12.91 1 4 0 58 291.322 1 ↓

Analogs

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Popular Name: 3-(4-chloro-3-hydroxy-phenyl)-3-azaspiro[5.5]undecane-2,4-dione 3-(4-chloro-3-hydroxy-phenyl)-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) 2.12 6.05 -11.49 1 4 0 58 307.777 1 ↓
Hi High (pH 8-9.5) 2.12 6.82 -53.85 0 4 -1 60 306.769 1 ↓

Analogs

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Popular Name: 3-(3-chloro-4-hydroxy-phenyl)-3-azaspiro[5.5]undecane-2,4-dione 3-(3-chloro-4-hydroxy-phenyl)-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) 2.12 6.03 -11.71 1 4 0 58 307.777 1 ↓
Hi High (pH 8-9.5) 2.12 6.8 -51.47 0 4 -1 60 306.769 1 ↓

Analogs

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Popular Name: 3-(2-chloro-4-hydroxy-phenyl)-3-azaspiro[5.5]undecane-2,4-dione 3-(2-chloro-4-hydroxy-phenyl)-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) 1.86 6.31 -11.77 1 4 0 58 307.777 1 ↓

Analogs

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Popular Name: 3-[2-(hydroxymethyl)phenyl]-3-azaspiro[5.5]undecane-2,4-dione 3-[2-(hydroxymethyl)phenyl]-3-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) 1.02 6.16 -13.32 1 4 0 58 287.359 2 ↓

Analogs

4896431
4896431
1670893
1670893

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Popular Name: 3-prop-2-ynyl-3-azaspiro[5.5]undecane-2,4-dione 3-prop-2-ynyl-3-azaspiro[5.5]und…

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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) 1.54 6.51 -10.06 0 3 0 37 219.284 1 ↓

Analogs

6522940
6522940

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Popular Name: 3-(3-ethynylphenyl)-3-azaspiro[5.5]undecane-2,4-dione 3-(3-ethynylphenyl)-3-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) 1.47 9.54 -13.04 0 3 0 37 281.355 1 ↓

Analogs

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Popular Name: 2-(8,10-dioxo-9-azaspiro[5.5]undecan-9-yl)acetonitrile 2-(8,10-dioxo-9-azaspiro[5.5]und…

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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) 1.16 5.75 -12.05 0 4 0 61 220.272 1 ↓

Analogs

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

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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) 1.85 7.54 -40.36 2 4 1 54 293.431 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.85 7.54 -40.39 2 4 1 54 293.431 3 ↓

Parameters Provided:

ring.id = 17817
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 = 17817 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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