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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(3S,6R)-6-methyl-3-piperidyl]methyl]-1,3-oxazinan-2-one 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) 1.44 4.03 -37 2 4 1 46 213.301 2 ↓

Analogs

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Popular Name: 3-[[(3S,6S)-6-methyl-3-piperidyl]methyl]-1,3-oxazinan-2-one 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) 1.44 4.33 -35.63 2 4 1 46 213.301 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(3R,6R)-6-methyl-3-piperidyl]methyl]-1,3-oxazinan-2-one 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) 1.44 4.38 -47.35 2 4 1 46 213.301 2 ↓

Analogs

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Popular Name: 3-[[(3R,6S)-6-methyl-3-piperidyl]methyl]-1,3-oxazinan-2-one 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) 1.44 4.09 -47.16 2 4 1 46 213.301 2 ↓

Analogs

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Popular Name: 3-[[4-(2-aminoethyl)phenyl]methyl]-1,3-oxazinan-2-one 3-[[4-(2-aminoethyl)phenyl]methy…

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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 4.73 -53.79 3 4 1 57 235.307 4 ↓

Analogs

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Popular Name: 3-[(3-aminophenyl)methyl]-1,3-oxazinan-2-one 3-[(3-aminophenyl)methyl]-1,3-ox…

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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) 1.00 3.79 -11.94 2 4 0 56 206.245 2 ↓

Analogs

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Popular Name: 3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-oxazinan-2-one 3-(1,2,3,4-tetrahydroisoquinolin…

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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) 1.77 5.58 -50.4 2 4 1 46 233.291 1 ↓
Mid Mid (pH 6-8) 1.77 4.22 -12.02 1 4 0 42 232.283 1 ↓

Analogs

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Popular Name: 3-(1,2,3,4-tetrahydroquinolin-7-yl)-1,3-oxazinan-2-one 3-(1,2,3,4-tetrahydroquinolin-7-…

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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) 2.59 5.49 -12.11 1 4 0 42 232.283 1 ↓

Analogs

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Popular Name: 5-iodo-2-(2-oxo-1,3-oxazinan-3-yl)benzoic 5-iodo-2-(2-oxo-1,3-oxazinan-3-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) 3.35 7.9 -54.91 0 5 -1 70 346.1 2 ↓

Analogs

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Popular Name: 3-bromo-2-(2-oxo-1,3-oxazinan-3-yl)benzoic 3-bromo-2-(2-oxo-1,3-oxazinan-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) 3.05 7.89 -55.34 0 5 -1 70 299.1 2 ↓

Analogs

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Popular Name: 4-amino-2-(2-oxo-1,3-oxazinan-3-yl)benzoic 4-amino-2-(2-oxo-1,3-oxazinan-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) 1.34 4.67 -61.24 2 6 -1 96 235.219 2 ↓

Analogs

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Popular Name: 3-[(2S)-2-amino-2-phenyl-ethyl]-1,3-oxazinan-2-one 3-[(2S)-2-amino-2-phenyl-ethyl]-…

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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) -0.34 4.53 -52.99 3 4 1 57 221.28 3 ↓
Mid Mid (pH 6-8) -0.34 4.19 -11.91 2 4 0 56 220.272 3 ↓

Analogs

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Popular Name: 3-[(2R)-2-amino-2-phenyl-ethyl]-1,3-oxazinan-2-one 3-[(2R)-2-amino-2-phenyl-ethyl]-…

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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) -0.34 4.47 -39.33 3 4 1 57 221.28 3 ↓
Mid Mid (pH 6-8) -0.34 4.06 -10.01 2 4 0 56 220.272 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-oxo-1,3-oxazinan-3-yl)pyridine-3-carboxylic 5-(2-oxo-1,3-oxazinan-3-yl)pyrid…

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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) 0.73 4.27 -52.65 0 6 -1 83 221.192 2 ↓

Analogs

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Popular Name: 3-fluoro-4-(2-oxo-1,3-oxazinan-3-yl)benzoic 3-fluoro-4-(2-oxo-1,3-oxazinan-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) 2.25 6.24 -51.78 0 5 -1 70 238.194 2 ↓

Analogs

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Popular Name: 3-(2-amino-1,1-dimethyl-ethyl)-1,3-oxazinan-2-one 3-(2-amino-1,1-dimethyl-ethyl)-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) 0.16 1.83 -44.74 3 4 1 57 173.236 2 ↓

Analogs

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Popular Name: (2S)-N-(cyclobutylmethyl)-2-(2-oxo-1,3-oxazinan-3-yl)-3-phenyl-propanamide (2S)-N-(cyclobutylmethyl)-2-(2-o…

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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) 2.49 8.85 -18.64 1 5 0 59 316.401 6 ↓

Analogs

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Popular Name: (2R)-N-(cyclobutylmethyl)-2-(2-oxo-1,3-oxazinan-3-yl)-3-phenyl-propanamide (2R)-N-(cyclobutylmethyl)-2-(2-o…

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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) 2.49 8.85 -18.54 1 5 0 59 316.401 6 ↓

Analogs

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Popular Name: (2S)-2-(2-oxo-1,3-oxazinan-3-yl)-3-phenyl-N-(4-pyridyl)propanamide (2S)-2-(2-oxo-1,3-oxazinan-3-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) 1.85 7.82 -21.05 1 6 0 72 325.368 5 ↓

Analogs

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Popular Name: (2R)-2-(2-oxo-1,3-oxazinan-3-yl)-3-phenyl-N-(4-pyridyl)propanamide (2R)-2-(2-oxo-1,3-oxazinan-3-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) 1.85 7.82 -20.69 1 6 0 72 325.368 5 ↓

Analogs

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Popular Name: 2,3,5,6-tetramethyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide 2,3,5,6-tetramethyl-N-[2-(2-oxo-…

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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 6.46 -17.51 1 5 0 59 304.39 4 ↓

Analogs

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Popular Name: 3-(1,1-dimethylprop-2-ynyl)-1,3-oxazinan-2-one 3-(1,1-dimethylprop-2-ynyl)-1,3-…

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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) 1.52 4.17 -12.3 0 3 0 30 167.208 1 ↓

Analogs

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Popular Name: 3-[(3R)-azepan-3-yl]-1,3-oxazinan-2-one 3-[(3R)-azepan-3-yl]-1,3-oxazina…

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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 3.29 -45.04 2 4 1 46 199.274 1 ↓

Analogs

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Popular Name: 3-[(3S)-azepan-3-yl]-1,3-oxazinan-2-one 3-[(3S)-azepan-3-yl]-1,3-oxazina…

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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 3.56 -45.13 2 4 1 46 199.274 1 ↓

Analogs

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Popular Name: 3-[2-(oxoBLAHyl)ethyl]-1,3-oxazinan-2-one 3-[2-(oxoBLAHyl)ethyl]-1,3-oxazi…

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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) 0.82 4.95 -14.33 1 7 0 76 334.401 3 ↓
Lo Low (pH 4.5-6) 0.82 6.34 -53.63 2 7 1 81 335.409 3 ↓

Analogs

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Popular Name: 3-[2-[4-phenyl-5-(3-pyridyl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one 3-[2-[4-phenyl-5-(3-pyridyl)imid…

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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) 2.50 10.48 -14.66 0 6 0 60 348.406 5 ↓
Mid Mid (pH 6-8) 2.50 11.08 -49.32 1 6 1 62 349.414 5 ↓

Analogs

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Popular Name: N-(3,5-dimethylphenyl)-N'-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanediamide N-(3,5-dimethylphenyl)-N'-[2-(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) 1.55 6.15 -29.56 2 7 0 88 333.388 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]-5-phenyl-imidazol-4-yl]benzonitrile 2-[3-[2-(2-oxo-1,3-oxazinan-3-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) 3.28 12.33 -19.59 0 6 0 71 372.428 5 ↓
Mid Mid (pH 6-8) 3.28 12.99 -45.79 1 6 1 72 373.436 5 ↓

Analogs

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Popular Name: 3-[2-[[4-(4-hydroxy-1-piperidyl)pyrimidin-2-yl]amino]ethyl]-1,3-oxazinan-2-one 3-[2-[[4-(4-hydroxy-1-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) 0.10 4.99 -18.28 2 8 0 91 321.381 5 ↓
Lo Low (pH 4.5-6) 0.10 5.24 -36.04 3 8 1 92 322.389 5 ↓

Analogs

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Popular Name: 1-benzyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrazole-4-carboxamide 1-benzyl-N-[2-(2-oxo-1,3-oxazina…

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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) 1.34 6.07 -19.95 1 7 0 76 328.372 6 ↓

Analogs

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Popular Name: N-(2,5-dimethylphenyl)-N'-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanediamide N-(2,5-dimethylphenyl)-N'-[2-(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) 1.55 6.31 -29.64 2 7 0 88 333.388 6 ↓

Analogs

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Popular Name: 5-acetamido-2-chloro-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide 5-acetamido-2-chloro-N-[2-(2-oxo…

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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) 1.19 3.86 -23.85 2 7 0 88 339.779 5 ↓

Analogs

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Popular Name: 5-(2-oxo-1,3-oxazinan-3-yl)pentanoic 5-(2-oxo-1,3-oxazinan-3-yl)penta…

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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) 0.84 5.23 -52.87 0 5 -1 70 200.214 5 ↓
Lo Low (pH 4.5-6) 0.84 3.25 -14.8 1 5 0 67 201.222 5 ↓

Analogs

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Popular Name: 3-but-3-ynyl-1,3-oxazinan-2-one 3-but-3-ynyl-1,3-oxazinan-2-one

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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) 0.98 4.26 -11.3 0 3 0 30 153.181 2 ↓

Analogs

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Popular Name: (4S)-4-(2-oxo-1,3-oxazinan-3-yl)pentanoic (4S)-4-(2-oxo-1,3-oxazinan-3-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) 0.67 5.22 -56.6 0 5 -1 70 200.214 4 ↓
Lo Low (pH 4.5-6) 0.67 3.24 -16.26 1 5 0 67 201.222 4 ↓

Analogs

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Popular Name: (4R)-4-(2-oxo-1,3-oxazinan-3-yl)pentanoic (4R)-4-(2-oxo-1,3-oxazinan-3-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) 0.67 5.22 -56.18 0 5 -1 70 200.214 4 ↓
Lo Low (pH 4.5-6) 0.67 3.24 -16.29 1 5 0 67 201.222 4 ↓

Analogs

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Popular Name: (chloro-dihydroxy-methoxy-tetramethyl-dioxo-BLAHyl) (chloro-dihydroxy-methoxy-tetram…

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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) 4.03 5.57 -20.78 3 11 0 147 621.127 4 ↓
Hi High (pH 8-9.5) 4.03 6.31 -56.52 2 11 -1 150 620.119 4 ↓

Analogs

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Popular Name: (chloro-dihydroxy-methoxy-tetramethyl-dioxo-BLAHyl) (chloro-dihydroxy-methoxy-tetram…

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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) 4.03 5.65 -17.89 3 11 0 147 621.127 4 ↓
Hi High (pH 8-9.5) 4.03 6.43 -57.9 2 11 -1 150 620.119 4 ↓

Analogs

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Popular Name: (chloro-dihydroxy-methoxy-tetramethyl-dioxo-BLAHyl) (chloro-dihydroxy-methoxy-tetram…

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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) 4.03 6.15 -19.13 3 11 0 147 621.127 4 ↓
Hi High (pH 8-9.5) 4.03 6.91 -57.01 2 11 -1 150 620.119 4 ↓

Analogs

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Popular Name: (chloro-dihydroxy-methoxy-tetramethyl-dioxo-BLAHyl) (chloro-dihydroxy-methoxy-tetram…

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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) 4.03 5.55 -16.98 3 11 0 147 621.127 4 ↓
Hi High (pH 8-9.5) 4.03 6.31 -57.55 2 11 -1 150 620.119 4 ↓

Analogs

34626956
34626956
34626957
34626957
6614145
6614145

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Popular Name: tert-butyl tert-butyl

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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) 2.89 7.07 -15.57 0 6 0 59 312.41 3 ↓

Analogs

6614145
6614145

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Popular Name: tert-Butyl 4-(2-oxo-1,3-oxazinan-3-yl)piperidine-1-carboxylate tert-Butyl 4-(2-oxo-1,3-oxazinan…

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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) 2.00 5.93 -16.35 0 6 0 59 284.356 3 ↓

Analogs

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Popular Name: tert-Butyl 2-oxo-1-oxa-3,9-diazaspiro[5.5]undecane-9-carboxylate tert-Butyl 2-oxo-1-oxa-3,9-diaza…

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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 3.49 -13.6 1 6 0 68 270.329 2 ↓

Analogs

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Popular Name: (4S)-4-(4-methoxyphenyl)-6-methyl-2-oxo-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]-3,4-dihydro-1H-pyrimidi (4S)-4-(4-methoxyphenyl)-6-methy…

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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) 1.53 2.9 -21.55 3 9 0 109 388.424 6 ↓

Analogs

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Popular Name: (4R)-4-(4-methoxyphenyl)-6-methyl-2-oxo-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]-3,4-dihydro-1H-pyrimidi (4R)-4-(4-methoxyphenyl)-6-methy…

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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) 1.53 2.98 -19.35 3 9 0 109 388.424 6 ↓

Analogs

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Popular Name: 3-[2-[4-(5-methyl-2-furyl)triazol-1-yl]ethyl]-1,3-oxazinan-2-one 3-[2-[4-(5-methyl-2-furyl)triazo…

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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) 1.13 5.26 -15.56 0 7 0 73 276.296 4 ↓

Analogs

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Popular Name: 3-[2-[(2-chloropyrimidin-4-yl)amino]ethyl]-1,3-oxazinan-2-one 3-[2-[(2-chloropyrimidin-4-yl)am…

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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) 1.23 3.65 -14.88 1 6 0 67 256.693 4 ↓

Analogs

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Popular Name: 3-prop-2-ynyl-1,3-oxazinan-2-one 3-prop-2-ynyl-1,3-oxazinan-2-one

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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 3.51 -11.5 0 3 0 30 139.154 1 ↓

Analogs

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Popular Name: 3-(3-ethynylphenyl)-1,3-oxazinan-2-one 3-(3-ethynylphenyl)-1,3-oxazinan…

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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) 1.99 6.69 -12.73 0 3 0 30 201.225 1 ↓

Analogs

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Popular Name: 3-[2-[5-(1H-imidazol-2-yl)-4-phenyl-imidazol-1-yl]ethyl]-1,3-oxazinan-2-one 3-[2-[5-(1H-imidazol-2-yl)-4-phe…

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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) 1.89 10.08 -19.21 1 7 0 76 337.383 5 ↓
Lo Low (pH 4.5-6) 1.89 10.67 -48.73 2 7 1 77 338.391 5 ↓

Parameters Provided:

ring.id = 17846
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 = 17846 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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