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Analogs

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Popular Name: (2R,4S)-2-(4-propoxyphenyl)-1,3-thiazinane-4-carboxylic (2R,4S)-2-(4-propoxyphenyl)-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) 1.04 7.93 -28.99 2 4 0 66 281.377 5 ↓
Mid Mid (pH 6-8) 1.04 6.76 -43.94 1 4 -1 61 280.369 5 ↓

Analogs

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Popular Name: (2S,4S)-2-(4-propoxyphenyl)-1,3-thiazinane-4-carboxylic (2S,4S)-2-(4-propoxyphenyl)-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) 1.04 7.52 -31.54 2 4 0 66 281.377 5 ↓
Mid Mid (pH 6-8) 1.04 6.51 -41.99 1 4 -1 61 280.369 5 ↓

Analogs

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Popular Name: (2R,4R)-2-(4-propoxyphenyl)-1,3-thiazinane-4-carboxylic (2R,4R)-2-(4-propoxyphenyl)-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) 1.04 7.52 -31.52 2 4 0 66 281.377 5 ↓
Mid Mid (pH 6-8) 1.04 6.28 -43.58 1 4 -1 61 280.369 5 ↓

Analogs

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Popular Name: (2S,4R)-2-(4-propoxyphenyl)-1,3-thiazinane-4-carboxylic (2S,4R)-2-(4-propoxyphenyl)-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) 1.04 7.91 -29.39 2 4 0 66 281.377 5 ↓
Mid Mid (pH 6-8) 1.04 6.9 -43.66 1 4 -1 61 280.369 5 ↓

Analogs

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Popular Name: (2R,4S)-2-(3-propoxyphenyl)-1,3-thiazinane-4-carboxylic (2R,4S)-2-(3-propoxyphenyl)-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) 1.01 7.93 -27.95 2 4 0 66 281.377 5 ↓
Mid Mid (pH 6-8) 1.01 6.76 -43.93 1 4 -1 61 280.369 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-(3-propoxyphenyl)-1,3-thiazinane-4-carboxylic (2S,4S)-2-(3-propoxyphenyl)-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) 1.01 7.52 -34.36 2 4 0 66 281.377 5 ↓
Mid Mid (pH 6-8) 1.01 6.51 -45.61 1 4 -1 61 280.369 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-(3-propoxyphenyl)-1,3-thiazinane-4-carboxylic (2R,4R)-2-(3-propoxyphenyl)-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) 1.01 7.52 -34.34 2 4 0 66 281.377 5 ↓
Mid Mid (pH 6-8) 1.01 6.28 -47.43 1 4 -1 61 280.369 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-(3-propoxyphenyl)-1,3-thiazinane-4-carboxylic (2S,4R)-2-(3-propoxyphenyl)-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) 1.01 7.91 -28.38 2 4 0 66 281.377 5 ↓
Mid Mid (pH 6-8) 1.01 6.9 -43.55 1 4 -1 61 280.369 5 ↓

Analogs

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Popular Name: 2,2,2-trichloroethyl 2,2,2-trichloroethyl

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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) 4.40 12.1 -16.44 2 7 0 88 556.899 9 ↓

Analogs

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Popular Name: 2,2,2-trichloroethyl 2,2,2-trichloroethyl

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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) 4.40 12.1 -17.24 2 7 0 88 556.899 9 ↓

Analogs

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Popular Name: 2,2,2-trichloroethyl 2,2,2-trichloroethyl

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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) 4.40 10.75 -14.92 2 7 0 88 556.899 9 ↓

Analogs

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Popular Name: 2,2,2-trichloroethyl 2,2,2-trichloroethyl

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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) 4.40 11.25 -12.8 2 7 0 88 556.899 9 ↓

Analogs

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Popular Name: 2,2,2-trichloroethyl 2,2,2-trichloroethyl

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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) 2.99 10.79 -18.73 1 8 0 102 523.822 9 ↓

Analogs

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Popular Name: 2,2,2-trichloroethyl 2,2,2-trichloroethyl

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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) 2.99 11.13 -17.47 1 8 0 102 523.822 9 ↓

Analogs

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Popular Name: 2,2,2-trichloroethyl 2,2,2-trichloroethyl

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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) 2.99 10.24 -14.49 1 8 0 102 523.822 9 ↓

Analogs

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Popular Name: 2,2,2-trichloroethyl 2,2,2-trichloroethyl

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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) 2.99 9.85 -14.84 1 8 0 102 523.822 9 ↓

Analogs

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Popular Name: (2R,4S)-2-(6-quinolyl)-1,3-thiazinane-4-carboxylic (2R,4S)-2-(6-quinolyl)-1,3-thiaz…

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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 6.1 -47.03 1 4 -1 65 273.337 2 ↓
Mid Mid (pH 6-8) 0.08 7.28 -32.88 2 4 0 70 274.345 2 ↓
Lo Low (pH 4.5-6) 0.08 7.71 -66.01 3 4 1 71 275.353 2 ↓

Analogs

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Popular Name: (2S,4S)-2-(6-quinolyl)-1,3-thiazinane-4-carboxylic (2S,4S)-2-(6-quinolyl)-1,3-thiaz…

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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 5.86 -43.94 1 4 -1 65 273.337 2 ↓
Mid Mid (pH 6-8) 0.08 6.86 -33.42 2 4 0 70 274.345 2 ↓
Lo Low (pH 4.5-6) 0.08 7.29 -66.73 3 4 1 71 275.353 2 ↓

Analogs

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Popular Name: (2R,4R)-2-(6-quinolyl)-1,3-thiazinane-4-carboxylic (2R,4R)-2-(6-quinolyl)-1,3-thiaz…

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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 5.62 -45.65 1 4 -1 65 273.337 2 ↓
Mid Mid (pH 6-8) 0.08 6.86 -33.41 2 4 0 70 274.345 2 ↓
Lo Low (pH 4.5-6) 0.08 7.29 -66.77 3 4 1 71 275.353 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-(6-quinolyl)-1,3-thiazinane-4-carboxylic (2S,4R)-2-(6-quinolyl)-1,3-thiaz…

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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 6.26 -46.77 1 4 -1 65 273.337 2 ↓
Mid Mid (pH 6-8) 0.08 7.24 -33.28 2 4 0 70 274.345 2 ↓
Lo Low (pH 4.5-6) 0.08 7.68 -66.5 3 4 1 71 275.353 2 ↓

Analogs

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Popular Name: (2R,4S)-2-(8-quinolyl)-1,3-thiazinane-4-carboxylic (2R,4S)-2-(8-quinolyl)-1,3-thiaz…

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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 6.34 -49.4 1 4 -1 65 273.337 2 ↓
Mid Mid (pH 6-8) 0.06 7.45 -27.99 2 4 0 70 274.345 2 ↓
Lo Low (pH 4.5-6) 0.06 6.72 -56.12 2 4 0 66 274.345 2 ↓

Analogs

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Popular Name: (2S,4S)-2-(8-quinolyl)-1,3-thiazinane-4-carboxylic (2S,4S)-2-(8-quinolyl)-1,3-thiaz…

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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 6.12 -52.72 1 4 -1 65 273.337 2 ↓
Mid Mid (pH 6-8) 0.06 7.36 -36.64 2 4 0 70 274.345 2 ↓
Lo Low (pH 4.5-6) 0.06 6.41 -43.52 2 4 0 66 274.345 2 ↓

Analogs

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Popular Name: (2R,4R)-2-(8-quinolyl)-1,3-thiazinane-4-carboxylic (2R,4R)-2-(8-quinolyl)-1,3-thiaz…

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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 5.86 -55.35 1 4 -1 65 273.337 2 ↓
Mid Mid (pH 6-8) 0.06 7.04 -39.15 2 4 0 70 274.345 2 ↓
Lo Low (pH 4.5-6) 0.06 6.24 -44.89 2 4 0 66 274.345 2 ↓

Analogs

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Popular Name: (2S,4R)-2-(8-quinolyl)-1,3-thiazinane-4-carboxylic (2S,4R)-2-(8-quinolyl)-1,3-thiaz…

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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 6.5 -49.4 1 4 -1 65 273.337 2 ↓
Mid Mid (pH 6-8) 0.06 7.75 -28.51 2 4 0 70 274.345 2 ↓
Lo Low (pH 4.5-6) 0.06 6.81 -56.32 2 4 0 66 274.345 2 ↓

Analogs

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Popular Name: (2R,4S)-2-pyrimidin-4-yl-1,3-thiazinane-4-carboxylic (2R,4S)-2-pyrimidin-4-yl-1,3-thi…

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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 3.67 -46.18 1 5 -1 78 224.265 2 ↓
Lo Low (pH 4.5-6) -1.59 4.88 -29.43 2 5 0 83 225.273 2 ↓

Analogs

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Popular Name: (2S,4S)-2-pyrimidin-4-yl-1,3-thiazinane-4-carboxylic (2S,4S)-2-pyrimidin-4-yl-1,3-thi…

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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 3.25 -42.76 1 5 -1 78 224.265 2 ↓
Lo Low (pH 4.5-6) -1.59 4.48 -28.18 2 5 0 83 225.273 2 ↓

Analogs

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Popular Name: (2R,4R)-2-pyrimidin-4-yl-1,3-thiazinane-4-carboxylic (2R,4R)-2-pyrimidin-4-yl-1,3-thi…

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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 3.19 -43.73 1 5 -1 78 224.265 2 ↓
Lo Low (pH 4.5-6) -1.59 4.48 -28.16 2 5 0 83 225.273 2 ↓

Analogs

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Popular Name: (2S,4R)-2-pyrimidin-4-yl-1,3-thiazinane-4-carboxylic (2S,4R)-2-pyrimidin-4-yl-1,3-thi…

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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 3.64 -46.48 1 5 -1 78 224.265 2 ↓
Lo Low (pH 4.5-6) -1.59 4.86 -29.83 2 5 0 83 225.273 2 ↓

Analogs

4831604
4831604
4831605
4831605

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Popular Name: 1,3-thiazinane-4-carboxylic acid 1,3-thiazinane-4-carboxylic acid

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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) -1.48 1.62 -41.69 1 3 -1 52 146.191 1 ↓

Parameters Provided:

ring.id = 35538
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 = 35538 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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