UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36731090
36731090

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Popular Name: azetidin-1-yl-(2,4-dimethoxyphenyl)methanone azetidin-1-yl-(2,4-dimethoxyphen…

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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) 1.63 4.56 -14.48 0 4 0 39 221.256 3 ↓

Analogs

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Popular Name: azetidin-1-yl-(3,5-dimethoxyphenyl)methanone azetidin-1-yl-(3,5-dimethoxyphen…

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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) 1.08 3.38 -12.41 0 4 0 39 221.256 3 ↓

Analogs

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Popular Name: N-[[4-(3-hydroxyazetidine-1-carbonyl)phenyl]methyl]acetamide N-[[4-(3-hydroxyazetidine-1-carb…

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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) -0.96 0.37 -18.77 2 5 0 70 248.282 3 ↓

Analogs

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Popular Name: (2-ethylsulfonylphenyl)-(3-hydroxyazetidin-1-yl)methanone (2-ethylsulfonylphenyl)-(3-hydro…

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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) -0.24 1.1 -22.21 1 5 0 75 269.322 3 ↓

Analogs

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Popular Name: (3,5-dichloro-4-methoxy-phenyl)-(3-hydroxyazetidin-1-yl)methanone (3,5-dichloro-4-methoxy-phenyl)-…

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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) 1.39 1.85 -8.54 1 4 0 50 276.119 2 ↓

Analogs

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Popular Name: (3-hydroxyazetidin-1-yl)-[3-(methylsulfanylmethyl)phenyl]methanone (3-hydroxyazetidin-1-yl)-[3-(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) 0.59 3.22 -11.86 1 3 0 41 237.324 3 ↓

Analogs

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Popular Name: (3-hydroxyazetidin-1-yl)-(2-methyl-5-methylsulfanyl-phenyl)methanone (3-hydroxyazetidin-1-yl)-(2-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) 0.93 3.08 -12.77 1 3 0 41 237.324 2 ↓

Analogs

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Popular Name: (3-hydroxyazetidin-1-yl)-(4-hydroxyphenyl)methanone (3-hydroxyazetidin-1-yl)-(4-hydr…

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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) -0.36 -1.49 -15.09 2 4 0 61 193.202 1 ↓

Analogs

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Popular Name: (4-chloro-2-nitro-phenyl)-(3-hydroxyazetidin-1-yl)methanone (4-chloro-2-nitro-phenyl)-(3-hyd…

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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) 0.69 3.69 -20.58 1 6 0 86 256.645 2 ↓

Analogs

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Popular Name: (3-hydroxyazetidin-1-yl)-(2-methyl-6-nitro-phenyl)methanone (3-hydroxyazetidin-1-yl)-(2-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) 0.43 3.16 -19.25 1 6 0 86 236.227 2 ↓

Analogs

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Popular Name: (3,4-dimethoxyphenyl)-(3-hydroxyazetidin-1-yl)methanone (3,4-dimethoxyphenyl)-(3-hydroxy…

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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) -0.23 0.56 -17.08 1 5 0 59 237.255 3 ↓

Analogs

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Popular Name: (3-hydroxyazetidin-1-yl)-(3-nitrophenyl)methanone (3-hydroxyazetidin-1-yl)-(3-nitr…

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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) 0.06 2.03 -16.18 1 6 0 86 222.2 2 ↓

Analogs

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Popular Name: (2,3-dimethylphenyl)-(3-hydroxyazetidin-1-yl)methanone (2,3-dimethylphenyl)-(3-hydroxya…

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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) 0.92 2.62 -13.5 1 3 0 41 205.257 1 ↓

Analogs

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Popular Name: (3-hydroxyazetidin-1-yl)-(2-nitrophenyl)methanone (3-hydroxyazetidin-1-yl)-(2-nitr…

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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) 0.03 3.19 -24.02 1 6 0 86 222.2 2 ↓

Analogs

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Popular Name: (3-hydroxyazetidin-1-yl)-(4-nitrophenyl)methanone (3-hydroxyazetidin-1-yl)-(4-nitr…

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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) 0.08 2.05 -14.34 1 6 0 86 222.2 2 ↓

Analogs

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Popular Name: (5-bromo-2-fluoro-phenyl)-(3-hydroxyazetidin-1-yl)methanone (5-bromo-2-fluoro-phenyl)-(3-hyd…

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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 2.11 -14.76 1 3 0 41 274.089 1 ↓

Analogs

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Popular Name: (3-bromophenyl)-(3-hydroxyazetidin-1-yl)methanone (3-bromophenyl)-(3-hydroxyazetid…

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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 1.96 -8.66 1 3 0 41 256.099 1 ↓

Analogs

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Popular Name: (4-bromo-2-fluoro-phenyl)-(3-hydroxyazetidin-1-yl)methanone (4-bromo-2-fluoro-phenyl)-(3-hyd…

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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 2.11 -16.01 1 3 0 41 274.089 1 ↓

Analogs

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Popular Name: (2-bromo-5-methoxy-phenyl)-(3-hydroxyazetidin-1-yl)methanone (2-bromo-5-methoxy-phenyl)-(3-hy…

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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) 0.92 1.33 -13.77 1 4 0 50 286.125 2 ↓

Analogs

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Popular Name: (3-hydroxyazetidin-1-yl)-(2,4,5-trifluoro-3-hydroxy-phenyl)methanone (3-hydroxyazetidin-1-yl)-(2,4,5-…

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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) 0.18 -0.47 -48.36 1 4 -1 64 246.164 1 ↓
Mid Mid (pH 6-8) 0.18 -1.23 -11.77 2 4 0 61 247.172 1 ↓

Analogs

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Popular Name: (3-hydroxyazetidin-1-yl)-(2,4,5-trimethoxyphenyl)methanone (3-hydroxyazetidin-1-yl)-(2,4,5-…

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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) 0.30 1.16 -19.1 1 6 0 68 267.281 4 ↓

Analogs

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Popular Name: [3-(difluoromethoxy)phenyl]-(3-hydroxyazetidin-1-yl)methanone [3-(difluoromethoxy)phenyl]-(3-h…

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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 0.92 -12.88 1 4 0 50 243.209 3 ↓

Analogs

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Popular Name: (3-bromo-5-fluoro-phenyl)-(3-hydroxyazetidin-1-yl)methanone (3-bromo-5-fluoro-phenyl)-(3-hyd…

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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 2.02 -11.66 1 3 0 41 274.089 1 ↓

Analogs

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Popular Name: (2-ethoxyphenyl)-(3-hydroxyazetidin-1-yl)methanone (2-ethoxyphenyl)-(3-hydroxyazeti…

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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) 1.05 2.83 -17.84 1 4 0 50 221.256 3 ↓

Analogs

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Popular Name: (2,4-dihydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone (2,4-dihydroxyphenyl)-(3-hydroxy…

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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) 0.11 -2.94 -16.97 3 5 0 81 209.201 1 ↓
Hi High (pH 8-9.5) 0.11 -1.96 -64.84 2 5 -1 84 208.193 1 ↓

Analogs

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Popular Name: 4-(3-hydroxyazetidine-1-carbonyl)benzonitrile 4-(3-hydroxyazetidine-1-carbonyl…

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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) -0.12 1.74 -14.83 1 4 0 64 202.213 1 ↓

Analogs

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Popular Name: (2-bromophenyl)-(3-hydroxyazetidin-1-yl)methanone (2-bromophenyl)-(3-hydroxyazetid…

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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) 0.88 2.03 -15 1 3 0 41 256.099 1 ↓

Analogs

42452844
42452844

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Popular Name: (2-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone (2-chlorophenyl)-(3-hydroxyazeti…

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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) 0.75 1.93 -15.54 1 3 0 41 211.648 1 ↓

Analogs

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Popular Name: (4-bromophenyl)-(3-hydroxyazetidin-1-yl)methanone (4-bromophenyl)-(3-hydroxyazetid…

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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) 0.93 1.96 -12.63 1 3 0 41 256.099 1 ↓

Analogs

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Popular Name: (4-fluorophenyl)-(3-hydroxyazetidin-1-yl)methanone (4-fluorophenyl)-(3-hydroxyazeti…

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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) 0.28 1.41 -13 1 3 0 41 195.193 1 ↓

Analogs

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Popular Name: (4-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone (4-chlorophenyl)-(3-hydroxyazeti…

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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) 0.80 1.86 -12.7 1 3 0 41 211.648 1 ↓

Analogs

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Popular Name: (3-hydroxyazetidin-1-yl)-(2-hydroxyphenyl)methanone (3-hydroxyazetidin-1-yl)-(2-hydr…

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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) 0.61 -0.11 -16.03 2 4 0 61 193.202 1 ↓
Hi High (pH 8-9.5) 0.61 0.87 -65.1 1 4 -1 64 192.194 1 ↓

Analogs

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Popular Name: (3-hydroxyazetidin-1-yl)-(2-methoxyphenyl)methanone (3-hydroxyazetidin-1-yl)-(2-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) 0.68 1.93 -17.87 1 4 0 50 207.229 2 ↓

Analogs

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Popular Name: (4-tert-butylphenyl)-(3-hydroxyazetidin-1-yl)methanone (4-tert-butylphenyl)-(3-hydroxya…

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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 3.66 -13.77 1 3 0 41 233.311 2 ↓

Analogs

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Popular Name: (3-hydroxyazetidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone (3-hydroxyazetidin-1-yl)-[2-(tri…

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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) 0.97 2.41 -18.01 1 3 0 41 245.2 2 ↓

Analogs

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Popular Name: 1-(3-chlorobenzoyl)azetidin-3-ol 1-(3-chlorobenzoyl)azetidin-3-ol

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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) 0.78 1.85 -11.09 1 3 0 41 211.648 1 ↓

Analogs

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Popular Name: (3-hydroxyazetidin-1-yl)-(4-methoxyphenyl)methanone (3-hydroxyazetidin-1-yl)-(4-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) 0.18 0.65 -14.33 1 4 0 50 207.229 2 ↓

Analogs

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Popular Name: (2,4-dichlorophenyl)-(3-hydroxyazetidin-1-yl)methanone (2,4-dichlorophenyl)-(3-hydroxya…

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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) 1.40 2.44 -13.61 1 3 0 41 246.093 1 ↓

Analogs

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Popular Name: (2-fluorophenyl)-(3-hydroxyazetidin-1-yl)methanone (2-fluorophenyl)-(3-hydroxyazeti…

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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) 0.24 1.49 -18.64 1 3 0 41 195.193 1 ↓

Analogs

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Popular Name: (3,4-dichlorophenyl)-(3-hydroxyazetidin-1-yl)methanone (3,4-dichlorophenyl)-(3-hydroxya…

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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) 1.40 2.31 -13.64 1 3 0 41 246.093 1 ↓

Analogs

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Popular Name: (3-hydroxyazetidin-1-yl)-(p-tolyl)methanone (3-hydroxyazetidin-1-yl)-(p-toly…

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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) 0.57 2.02 -14.34 1 3 0 41 191.23 1 ↓

Analogs

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Popular Name: (3-hydroxyazetidin-1-yl)-(2-iodophenyl)methanone (3-hydroxyazetidin-1-yl)-(2-iodo…

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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 2.48 -13.68 1 3 0 41 303.099 1 ↓

Analogs

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Popular Name: (3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone (3-hydroxyazetidin-1-yl)-(3-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) 0.15 0.64 -13.05 1 4 0 50 207.229 2 ↓

Analogs

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Popular Name: (3-hydroxyazetidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (3-hydroxyazetidin-1-yl)-(3,4,5-…

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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) -0.25 0.47 -12.8 1 6 0 68 267.281 4 ↓

Analogs

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Popular Name: (3-hydroxyazetidin-1-yl)-(o-tolyl)methanone (3-hydroxyazetidin-1-yl)-(o-toly…

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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) 0.52 2.05 -12.64 1 3 0 41 191.23 1 ↓

Analogs

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Popular Name: (3,5-dichlorophenyl)-(3-hydroxyazetidin-1-yl)methanone (3,5-dichlorophenyl)-(3-hydroxya…

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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) 1.40 2.35 -11.33 1 3 0 41 246.093 1 ↓

Analogs

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Popular Name: (3,5-dimethoxyphenyl)-(3-hydroxyazetidin-1-yl)methanone (3,5-dimethoxyphenyl)-(3-hydroxy…

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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) 0.16 -0.05 -15.79 1 5 0 59 237.255 3 ↓

Analogs

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Popular Name: (3,5-dimethylphenyl)-(3-hydroxyazetidin-1-yl)methanone (3,5-dimethylphenyl)-(3-hydroxya…

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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) 0.95 2.67 -14.52 1 3 0 41 205.257 1 ↓

Analogs

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Popular Name: (3-fluorophenyl)-(3-hydroxyazetidin-1-yl)methanone (3-fluorophenyl)-(3-hydroxyazeti…

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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) 0.26 1.41 -8.99 1 3 0 41 195.193 1 ↓

Analogs

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Popular Name: (2,4-difluorophenyl)-(3-hydroxyazetidin-1-yl)methanone (2,4-difluorophenyl)-(3-hydroxya…

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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) 0.38 1.55 -16.41 1 3 0 41 213.183 1 ↓

Parameters Provided:

ring.id = 112033
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 = 112033 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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