UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34981348
34981348
34981376
34981376
34988761
34988761
34988955
34988955
34989008
34989008

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Popular Name: 1-(2,4-dihydroxyphenyl)-2-morpholino-ethanone 1-(2,4-dihydroxyphenyl)-2-morpho…

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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) 0.77 -0.68 -15.71 2 5 0 70 237.255 3 ↓
Mid Mid (pH 6-8) 0.77 0.35 -53.95 1 5 -1 73 236.247 3 ↓

Analogs

42462638
42462638

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Popular Name: 2-(3,3-dimethylmorpholin-4-yl)-1-(4-methoxyphenyl)ethanone 2-(3,3-dimethylmorpholin-4-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) 2.20 3.99 -7.82 0 4 0 39 263.337 4 ↓
Lo Low (pH 4.5-6) 2.20 6.02 -36.39 1 4 1 40 264.345 4 ↓

Analogs

42462568
42462568
42462648
42462648

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Popular Name: 1-(2,5-dichlorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanone 1-(2,5-dichlorophenyl)-2-(3,3-di…

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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 5.7 -6.45 0 3 0 30 302.201 3 ↓
Lo Low (pH 4.5-6) 3.43 7.74 -35.71 1 3 1 31 303.209 3 ↓

Analogs

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Popular Name: 2-(3,3-dimethylmorpholin-4-yl)-1-(3-methoxyphenyl)ethanone 2-(3,3-dimethylmorpholin-4-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) 2.18 3.97 -9.98 0 4 0 39 263.337 4 ↓
Lo Low (pH 4.5-6) 2.18 6.01 -38.16 1 4 1 40 264.345 4 ↓

Analogs

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Popular Name: 2-(3,3-dimethylmorpholin-4-yl)-1-(2-methoxyphenyl)ethanone 2-(3,3-dimethylmorpholin-4-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) 2.15 5.16 -10.1 0 4 0 39 263.337 4 ↓
Lo Low (pH 4.5-6) 2.15 7.17 -35.67 1 4 1 40 264.345 4 ↓

Analogs

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Popular Name: 2-(3,3-dimethylmorpholin-4-yl)-1-(2,5-dimethylphenyl)ethanone 2-(3,3-dimethylmorpholin-4-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) 2.97 6.03 -6.12 0 3 0 30 261.365 3 ↓
Lo Low (pH 4.5-6) 2.97 8.06 -34.46 1 3 1 31 262.373 3 ↓

Analogs

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Popular Name: (2S)-2-(3,3-dimethylmorpholin-4-yl)-1-(4-fluorophenyl)propan-1-one (2S)-2-(3,3-dimethylmorpholin-4-…

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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) 2.64 5.08 -6.57 0 3 0 30 265.328 3 ↓
Lo Low (pH 4.5-6) 2.64 7.03 -35.37 1 3 1 31 266.336 3 ↓

Analogs

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Popular Name: (2R)-2-(3,3-dimethylmorpholin-4-yl)-1-(4-fluorophenyl)propan-1-one (2R)-2-(3,3-dimethylmorpholin-4-…

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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) 2.64 4.73 -6.25 0 3 0 30 265.328 3 ↓
Lo Low (pH 4.5-6) 2.64 6.57 -37.38 1 3 1 31 266.336 3 ↓

Analogs

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Popular Name: 1-(3-bromo-4-methoxy-phenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanone 1-(3-bromo-4-methoxy-phenyl)-2-(…

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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) 2.94 4.66 -10.28 0 4 0 39 342.233 4 ↓
Lo Low (pH 4.5-6) 2.94 6.69 -41.74 1 4 1 40 343.241 4 ↓

Analogs

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Popular Name: (2S)-1-(4-bromophenyl)-2-(3,3-dimethylmorpholin-4-yl)propan-1-one (2S)-1-(4-bromophenyl)-2-(3,3-di…

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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) 3.29 5.64 -6.13 0 3 0 30 326.234 3 ↓
Lo Low (pH 4.5-6) 3.29 7.59 -34.86 1 3 1 31 327.242 3 ↓

Analogs

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Popular Name: (2R)-1-(4-bromophenyl)-2-(3,3-dimethylmorpholin-4-yl)propan-1-one (2R)-1-(4-bromophenyl)-2-(3,3-di…

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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) 3.29 5.29 -5.72 0 3 0 30 326.234 3 ↓
Lo Low (pH 4.5-6) 3.29 7.12 -36.89 1 3 1 31 327.242 3 ↓

Analogs

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Popular Name: 2-(3,3-dimethylmorpholin-4-yl)-1-(4-ethylphenyl)ethanone 2-(3,3-dimethylmorpholin-4-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) 3.06 6.12 -7 0 3 0 30 261.365 4 ↓
Lo Low (pH 4.5-6) 3.06 8.15 -34.84 1 3 1 31 262.373 4 ↓

Analogs

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Popular Name: (2S)-1-(3-chlorophenyl)-2-(3,3-dimethylmorpholin-4-yl)propan-1-one (2S)-1-(3-chlorophenyl)-2-(3,3-d…

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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 5.52 -7.98 0 3 0 30 281.783 3 ↓
Lo Low (pH 4.5-6) 3.13 7.47 -35.91 1 3 1 31 282.791 3 ↓

Analogs

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Popular Name: (2R)-1-(3-chlorophenyl)-2-(3,3-dimethylmorpholin-4-yl)propan-1-one (2R)-1-(3-chlorophenyl)-2-(3,3-d…

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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 5.58 -8.06 0 3 0 30 281.783 3 ↓
Lo Low (pH 4.5-6) 3.13 7.45 -35.89 1 3 1 31 282.791 3 ↓

Analogs

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Popular Name: 1-(3,4-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanone 1-(3,4-difluorophenyl)-2-(3,3-di…

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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 4.8 -9.94 0 3 0 30 269.291 3 ↓
Lo Low (pH 4.5-6) 2.40 6.83 -44.48 1 3 1 31 270.299 3 ↓

Analogs

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Popular Name: 2-(3,3-dimethylmorpholin-4-yl)-1-(2,4-dimethylphenyl)ethanone 2-(3,3-dimethylmorpholin-4-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) 2.97 6.03 -6.3 0 3 0 30 261.365 3 ↓
Lo Low (pH 4.5-6) 2.97 8.08 -34.6 1 3 1 31 262.373 3 ↓

Analogs

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Popular Name: 2-(3,3-dimethylmorpholin-4-yl)-1-(4-nitrophenyl)ethanone 2-(3,3-dimethylmorpholin-4-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) 2.10 5.39 -10.04 0 6 0 75 278.308 4 ↓
Lo Low (pH 4.5-6) 2.10 7.42 -47.2 1 6 1 77 279.316 4 ↓

Analogs

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Popular Name: 2-(3,3-dimethylmorpholin-4-yl)-1-(4-isopropylphenyl)ethanone 2-(3,3-dimethylmorpholin-4-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) 3.66 6.59 -6.81 0 3 0 30 275.392 4 ↓
Lo Low (pH 4.5-6) 3.66 8.63 -34.81 1 3 1 31 276.4 4 ↓

Analogs

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Popular Name: 1-(2,6-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanone 1-(2,6-difluorophenyl)-2-(3,3-di…

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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) 2.38 4.73 -9.23 0 3 0 30 269.291 3 ↓
Lo Low (pH 4.5-6) 2.38 6.76 -30.56 1 3 1 31 270.299 3 ↓

Analogs

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Popular Name: 2-(3,3-dimethylmorpholin-4-yl)-1-(3,4-dimethylphenyl)ethanone 2-(3,3-dimethylmorpholin-4-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) 2.97 5.9 -7.46 0 3 0 30 261.365 3 ↓
Lo Low (pH 4.5-6) 2.97 7.93 -34.79 1 3 1 31 262.373 3 ↓

Analogs

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Popular Name: 1-(2,4-dihydroxyphenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanone 1-(2,4-dihydroxyphenyl)-2-(3,3-d…

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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) 1.58 0.31 -10.31 2 5 0 70 265.309 3 ↓
Hi High (pH 8-9.5) 1.58 1.32 -52.88 1 5 -1 73 264.301 3 ↓
Hi High (pH 8-9.5) 1.58 1.09 -43.58 1 5 -1 73 264.301 3 ↓

Analogs

42462588
42462588
42462648
42462648

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Popular Name: 1-(3,4-dichlorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanone 1-(3,4-dichlorophenyl)-2-(3,3-di…

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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 5.64 -8.32 0 3 0 30 302.201 3 ↓
Lo Low (pH 4.5-6) 3.43 7.67 -42.02 1 3 1 31 303.209 3 ↓

Analogs

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Popular Name: 1-(3,4-dihydroxyphenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanone 1-(3,4-dihydroxyphenyl)-2-(3,3-d…

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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) 1.18 -0.22 -11.66 2 5 0 70 265.309 3 ↓
Hi High (pH 8-9.5) 1.18 0.71 -44.16 1 5 -1 73 264.301 3 ↓
Lo Low (pH 4.5-6) 1.18 1.81 -41.97 3 5 1 71 266.317 3 ↓

Analogs

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Popular Name: 2-(3,3-dimethylmorpholin-4-yl)-1-(3-nitrophenyl)ethanone 2-(3,3-dimethylmorpholin-4-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) 2.08 5.38 -14.79 0 6 0 75 278.308 4 ↓
Lo Low (pH 4.5-6) 2.08 7.41 -49.99 1 6 1 77 279.316 4 ↓

Analogs

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Popular Name: (2S)-2-(3,3-dimethylmorpholin-4-yl)-1-phenyl-butan-1-one (2S)-2-(3,3-dimethylmorpholin-4-…

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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) 3.01 5.8 -6.11 0 3 0 30 261.365 4 ↓
Lo Low (pH 4.5-6) 3.01 7.55 -32.1 1 3 1 31 262.373 4 ↓

Analogs

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Popular Name: (2R)-2-(3,3-dimethylmorpholin-4-yl)-1-phenyl-butan-1-one (2R)-2-(3,3-dimethylmorpholin-4-…

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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) 3.01 5.78 -6.18 0 3 0 30 261.365 4 ↓
Lo Low (pH 4.5-6) 3.01 7.47 -32.18 1 3 1 31 262.373 4 ↓

Analogs

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Popular Name: 2-(3,3-dimethylmorpholin-4-yl)-1-(2-ethoxyphenyl)ethanone 2-(3,3-dimethylmorpholin-4-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) 2.53 6.07 -10.03 0 4 0 39 277.364 5 ↓
Lo Low (pH 4.5-6) 2.53 8.08 -35.37 1 4 1 40 278.372 5 ↓

Analogs

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Popular Name: (2S)-1-(2,4-dichlorophenyl)-2-(3,3-dimethylmorpholin-4-yl)propan-1-one (2S)-1-(2,4-dichlorophenyl)-2-(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) 3.76 5.81 -6.92 0 3 0 30 316.228 3 ↓
Lo Low (pH 4.5-6) 3.76 7.75 -38.63 1 3 1 31 317.236 3 ↓

Analogs

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Popular Name: (2R)-1-(2,4-dichlorophenyl)-2-(3,3-dimethylmorpholin-4-yl)propan-1-one (2R)-1-(2,4-dichlorophenyl)-2-(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) 3.76 6.08 -7.33 0 3 0 30 316.228 3 ↓
Lo Low (pH 4.5-6) 3.76 7.96 -36.56 1 3 1 31 317.236 3 ↓

Analogs

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Popular Name: (2S)-1-(2,4-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)propan-1-one (2S)-1-(2,4-difluorophenyl)-2-(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) 2.73 4.93 -9.33 0 3 0 30 283.318 3 ↓
Lo Low (pH 4.5-6) 2.73 6.87 -40.74 1 3 1 31 284.326 3 ↓

Analogs

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Popular Name: (2R)-1-(2,4-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)propan-1-one (2R)-1-(2,4-difluorophenyl)-2-(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) 2.73 5.21 -9.71 0 3 0 30 283.318 3 ↓
Lo Low (pH 4.5-6) 2.73 7.08 -38.46 1 3 1 31 284.326 3 ↓

Analogs

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Popular Name: 2-(3,3-dimethylmorpholin-4-yl)-1-(2-methoxy-4-methyl-phenyl)ethanone 2-(3,3-dimethylmorpholin-4-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) 2.58 5.82 -10.01 0 4 0 39 277.364 4 ↓
Lo Low (pH 4.5-6) 2.58 7.83 -35.58 1 4 1 40 278.372 4 ↓

Analogs

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Popular Name: 2-(3,3-dimethylmorpholin-4-yl)-1-(5-fluoro-2-hydroxy-phenyl)ethanone 2-(3,3-dimethylmorpholin-4-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) 2.23 3.21 -7.65 1 4 0 50 267.3 3 ↓
Hi High (pH 8-9.5) 2.23 4.21 -45.18 0 4 -1 53 266.292 3 ↓
Lo Low (pH 4.5-6) 2.23 5.22 -36.58 2 4 1 51 268.308 3 ↓

Analogs

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Popular Name: (2R)-2-(3,3-dimethylmorpholin-4-yl)-1-(p-tolyl)propan-1-one (2R)-2-(3,3-dimethylmorpholin-4-…

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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) 2.92 5.38 -6.45 0 3 0 30 261.365 3 ↓
Lo Low (pH 4.5-6) 2.92 7.36 -34.45 1 3 1 31 262.373 3 ↓

Analogs

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Popular Name: (2S)-2-(3,3-dimethylmorpholin-4-yl)-1-(p-tolyl)propan-1-one (2S)-2-(3,3-dimethylmorpholin-4-…

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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) 2.92 5.69 -6.95 0 3 0 30 261.365 3 ↓
Lo Low (pH 4.5-6) 2.92 7.64 -32.32 1 3 1 31 262.373 3 ↓

Analogs

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Popular Name: (2R)-2-(3,3-dimethylmorpholin-4-yl)-1-(3,4-dimethylphenyl)propan-1-one (2R)-2-(3,3-dimethylmorpholin-4-…

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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) 3.30 5.94 -6.57 0 3 0 30 275.392 3 ↓
Lo Low (pH 4.5-6) 3.30 7.67 -34.31 1 3 1 31 276.4 3 ↓

Analogs

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Popular Name: (2S)-2-(3,3-dimethylmorpholin-4-yl)-1-(3,4-dimethylphenyl)propan-1-one (2S)-2-(3,3-dimethylmorpholin-4-…

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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) 3.30 5.95 -6.61 0 3 0 30 275.392 3 ↓
Lo Low (pH 4.5-6) 3.30 7.93 -34.12 1 3 1 31 276.4 3 ↓

Analogs

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Popular Name: 2-(3,3-dimethylmorpholin-4-yl)-1-(4-propylphenyl)ethanone 2-(3,3-dimethylmorpholin-4-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) 3.45 6.89 -6.88 0 3 0 30 275.392 5 ↓
Lo Low (pH 4.5-6) 3.45 8.93 -34.81 1 3 1 31 276.4 5 ↓

Analogs

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Popular Name: 2-(3,3-dimethylmorpholin-4-yl)-1-(2,4,5-trimethylphenyl)ethanone 2-(3,3-dimethylmorpholin-4-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) 3.35 6.59 -6.33 0 3 0 30 275.392 3 ↓
Lo Low (pH 4.5-6) 3.35 8.62 -34.45 1 3 1 31 276.4 3 ↓

Analogs

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Popular Name: 2-(3,3-dimethylmorpholin-4-yl)-1-(2,4,6-trimethylphenyl)ethanone 2-(3,3-dimethylmorpholin-4-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) 3.35 6.64 -6.53 0 3 0 30 275.392 3 ↓
Lo Low (pH 4.5-6) 3.35 8.69 -33.34 1 3 1 31 276.4 3 ↓

Analogs

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Popular Name: 2-(3,3-dimethylmorpholin-4-yl)-1-(4-methylsulfanylphenyl)ethanone 2-(3,3-dimethylmorpholin-4-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) 2.58 5.69 -7.32 0 3 0 30 279.405 4 ↓
Lo Low (pH 4.5-6) 2.58 7.73 -36.49 1 3 1 31 280.413 4 ↓

Analogs

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Popular Name: (2R)-2-(3,3-dimethylmorpholin-4-yl)-1-(4-ethylphenyl)propan-1-one (2R)-2-(3,3-dimethylmorpholin-4-…

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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) 3.39 6.51 -6.77 0 3 0 30 275.392 4 ↓
Lo Low (pH 4.5-6) 3.39 8.38 -32.2 1 3 1 31 276.4 4 ↓

Analogs

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Popular Name: (2S)-2-(3,3-dimethylmorpholin-4-yl)-1-(4-ethylphenyl)propan-1-one (2S)-2-(3,3-dimethylmorpholin-4-…

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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) 3.39 6.46 -6.65 0 3 0 30 275.392 4 ↓
Lo Low (pH 4.5-6) 3.39 8.4 -32.28 1 3 1 31 276.4 4 ↓

Analogs

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Popular Name: (2S)-1-(3,4-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)propan-1-one (2S)-1-(3,4-difluorophenyl)-2-(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) 2.73 4.91 -8.84 0 3 0 30 283.318 3 ↓
Lo Low (pH 4.5-6) 2.73 6.85 -42.78 1 3 1 31 284.326 3 ↓

Analogs

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Popular Name: (2R)-1-(3,4-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)propan-1-one (2R)-1-(3,4-difluorophenyl)-2-(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) 2.73 4.79 -8.91 0 3 0 30 283.318 3 ↓
Lo Low (pH 4.5-6) 2.73 6.64 -42.83 1 3 1 31 284.326 3 ↓

Analogs

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Popular Name: 1-(3-chloro-4-methoxy-phenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanone 1-(3-chloro-4-methoxy-phenyl)-2-…

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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 4.54 -10.29 0 4 0 39 297.782 4 ↓
Lo Low (pH 4.5-6) 2.81 6.58 -41.69 1 4 1 40 298.79 4 ↓

Analogs

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Popular Name: 4-[2-(3,3-dimethylmorpholin-4-yl)acetyl]benzonitrile 4-[2-(3,3-dimethylmorpholin-4-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) 1.90 5.07 -9.75 0 4 0 53 258.321 3 ↓
Lo Low (pH 4.5-6) 1.90 7.1 -43.89 1 4 1 55 259.329 3 ↓

Analogs

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Popular Name: 2-(3,3-dimethylmorpholin-4-yl)-1-(3-fluoro-4-methoxy-phenyl)ethanone 2-(3,3-dimethylmorpholin-4-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) 2.29 4.07 -11.64 0 4 0 39 281.327 4 ↓
Lo Low (pH 4.5-6) 2.29 6.1 -43.73 1 4 1 40 282.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanone 1-(2,4-difluorophenyl)-2-(3,3-di…

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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 4.82 -10.33 0 3 0 30 269.291 3 ↓
Lo Low (pH 4.5-6) 2.40 6.85 -41.86 1 3 1 31 270.299 3 ↓

Analogs

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Popular Name: (2S)-2-(3,3-dimethylmorpholin-4-yl)-1-(4-methoxyphenyl)propan-1-one (2S)-2-(3,3-dimethylmorpholin-4-…

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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) 2.53 4.33 -7.37 0 4 0 39 277.364 4 ↓
Lo Low (pH 4.5-6) 2.53 6.28 -33.64 1 4 1 40 278.372 4 ↓

Parameters Provided:

ring.id = 6159
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 = 6159 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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