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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(1-oxo-1,4-thiazinan-4-yl)thiazole-5-carbaldehyde 2-(1-oxo-1,4-thiazinan-4-yl)thia…

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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) -0.02 2.46 -20.24 0 4 0 50 230.314 2 ↓

Analogs

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Popular Name: 1-[2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]ethanone 1-[2-(1-oxo-1,4-thiazinan-4-yl)t…

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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) 0.09 3.17 -21.36 0 4 0 50 244.341 2 ↓

Analogs

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Popular Name: 1-[4-methyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]ethanone 1-[4-methyl-2-(1-oxo-1,4-thiazin…

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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) 0.31 3.78 -20.09 0 4 0 50 258.368 2 ↓

Analogs

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Popular Name: (1R)-1-[4-methyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]ethanamine (1R)-1-[4-methyl-2-(1-oxo-1,4-th…

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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) -1.72 1.93 -55.02 3 4 1 61 260.408 2 ↓
Mid Mid (pH 6-8) -1.72 1.58 -16.83 2 4 0 59 259.4 2 ↓

Analogs

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Popular Name: (1S)-1-[4-methyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]ethanamine (1S)-1-[4-methyl-2-(1-oxo-1,4-th…

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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) -1.72 1.94 -56.29 3 4 1 61 260.408 2 ↓
Mid Mid (pH 6-8) -1.72 1.6 -16.99 2 4 0 59 259.4 2 ↓

Analogs

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Popular Name: [2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]methanamine [2-(1-oxo-1,4-thiazinan-4-yl)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) -0.62 0.76 -57.46 3 4 1 61 232.354 2 ↓
Mid Mid (pH 6-8) -0.62 0.35 -16.8 2 4 0 59 231.346 2 ↓

Analogs

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Popular Name: (1S)-1-[2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]ethanamine (1S)-1-[2-(1-oxo-1,4-thiazinan-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) -1.94 1.42 -54.67 3 4 1 61 246.381 2 ↓
Mid Mid (pH 6-8) -1.94 1.1 -16.91 2 4 0 59 245.373 2 ↓

Analogs

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Popular Name: (1R)-1-[2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]ethanamine (1R)-1-[2-(1-oxo-1,4-thiazinan-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) -1.94 1.42 -55.84 3 4 1 61 246.381 2 ↓
Mid Mid (pH 6-8) -1.94 1.09 -16.59 2 4 0 59 245.373 2 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[4-methyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]ethanamine (1R)-N-methyl-1-[4-methyl-2-(1-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) 0.53 3.64 -49.79 2 4 1 50 274.435 3 ↓
Hi High (pH 8-9.5) 0.53 2.36 -17.14 1 4 0 45 273.427 3 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-[4-methyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]ethanamine (1S)-N-methyl-1-[4-methyl-2-(1-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) 0.53 3.66 -50.97 2 4 1 50 274.435 3 ↓
Hi High (pH 8-9.5) 0.53 2.36 -16.38 1 4 0 45 273.427 3 ↓

Analogs

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Popular Name: (1S)-N-ethyl-1-[4-methyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]ethanamine (1S)-N-ethyl-1-[4-methyl-2-(1-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) 0.91 4.48 -49.75 2 4 1 50 288.462 4 ↓
Hi High (pH 8-9.5) 0.91 3.3 -16.49 1 4 0 45 287.454 4 ↓

Analogs

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Popular Name: (1R)-N-ethyl-1-[4-methyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]ethanamine (1R)-N-ethyl-1-[4-methyl-2-(1-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) 0.91 4.5 -48.33 2 4 1 50 288.462 4 ↓
Hi High (pH 8-9.5) 0.91 3.29 -15.96 1 4 0 45 287.454 4 ↓

Analogs

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Popular Name: N-[(1S)-1-[4-methyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]ethyl]propan-1-amine N-[(1S)-1-[4-methyl-2-(1-oxo-1,4…

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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) 1.41 5.24 -50.37 2 4 1 50 302.489 5 ↓
Hi High (pH 8-9.5) 1.41 4.05 -16.31 1 4 0 45 301.481 5 ↓

Analogs

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Popular Name: N-[(1R)-1-[4-methyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]ethyl]propan-1-amine N-[(1R)-1-[4-methyl-2-(1-oxo-1,4…

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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) 1.41 5.26 -48.97 2 4 1 50 302.489 5 ↓
Hi High (pH 8-9.5) 1.41 4.04 -15.86 1 4 0 45 301.481 5 ↓

Analogs

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Popular Name: N-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]methanamine N-methyl-1-[2-(1-oxo-1,4-thiazin…

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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 2.63 -51.94 2 4 1 50 246.381 3 ↓
Hi High (pH 8-9.5) -0.25 1.18 -16.36 1 4 0 45 245.373 3 ↓

Analogs

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Popular Name: N-[[2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]methyl]ethanamine N-[[2-(1-oxo-1,4-thiazinan-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) 0.13 3.49 -50.97 2 4 1 50 260.408 4 ↓
Hi High (pH 8-9.5) 0.13 2.12 -16.13 1 4 0 45 259.4 4 ↓

Analogs

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Popular Name: N-[[2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]methyl]propan-1-amine N-[[2-(1-oxo-1,4-thiazinan-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) 0.63 4.24 -51.8 2 4 1 50 274.435 5 ↓
Hi High (pH 8-9.5) 0.63 2.88 -16.03 1 4 0 45 273.427 5 ↓

Analogs

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Popular Name: N-[[2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]methyl]propan-2-amine N-[[2-(1-oxo-1,4-thiazinan-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) 0.42 4.02 -49.47 2 4 1 50 274.435 4 ↓
Hi High (pH 8-9.5) 0.42 2.79 -16.05 1 4 0 45 273.427 4 ↓

Analogs

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Popular Name: 2-methyl-N-[[2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]methyl]propan-2-amine 2-methyl-N-[[2-(1-oxo-1,4-thiazi…

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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) 0.94 4.45 -47.62 2 4 1 50 288.462 4 ↓
Hi High (pH 8-9.5) 0.94 3.19 -15.86 1 4 0 45 287.454 4 ↓

Analogs

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Popular Name: 2-methyl-N-[[2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]methyl]propan-1-amine 2-methyl-N-[[2-(1-oxo-1,4-thiazi…

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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) 0.87 4.93 -51.75 2 4 1 50 288.462 5 ↓
Hi High (pH 8-9.5) 0.87 3.71 -15.85 1 4 0 45 287.454 5 ↓

Analogs

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Popular Name: 2-methoxy-N-[[2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]methyl]ethanamine 2-methoxy-N-[[2-(1-oxo-1,4-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) -0.26 2.62 -51.36 2 5 1 59 290.434 6 ↓
Mid Mid (pH 6-8) -0.26 1.27 -17.1 1 5 0 54 289.426 6 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]ethanamine (1S)-N-methyl-1-[2-(1-oxo-1,4-th…

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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) 0.31 3.16 -49.46 2 4 1 50 260.408 3 ↓
Hi High (pH 8-9.5) 0.31 1.89 -15.77 1 4 0 45 259.4 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]ethanamine (1R)-N-methyl-1-[2-(1-oxo-1,4-th…

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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) 0.31 3.17 -50.53 2 4 1 50 260.408 3 ↓
Hi High (pH 8-9.5) 0.31 1.91 -16.32 1 4 0 45 259.4 3 ↓

Analogs

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Popular Name: (1S)-N-ethyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]ethanamine (1S)-N-ethyl-1-[2-(1-oxo-1,4-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) 0.69 4.01 -48.12 2 4 1 50 274.435 4 ↓
Hi High (pH 8-9.5) 0.69 2.84 -16.53 1 4 0 45 273.427 4 ↓

Analogs

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Popular Name: (1R)-N-ethyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]ethanamine (1R)-N-ethyl-1-[2-(1-oxo-1,4-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) 0.69 4.01 -49.13 2 4 1 50 274.435 4 ↓
Hi High (pH 8-9.5) 0.69 2.81 -15.75 1 4 0 45 273.427 4 ↓

Analogs

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Popular Name: N-[(1S)-1-[2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]ethyl]propan-1-amine N-[(1S)-1-[2-(1-oxo-1,4-thiazina…

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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 4.77 -48.84 2 4 1 50 288.462 5 ↓
Hi High (pH 8-9.5) 1.19 3.6 -16.43 1 4 0 45 287.454 5 ↓

Analogs

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Popular Name: N-[(1R)-1-[2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]ethyl]propan-1-amine N-[(1R)-1-[2-(1-oxo-1,4-thiazina…

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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 4.77 -49.89 2 4 1 50 288.462 5 ↓
Hi High (pH 8-9.5) 1.19 3.56 -15.56 1 4 0 45 287.454 5 ↓

Analogs

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Popular Name: 2-(1-oxo-1,4-thiazinan-4-yl)thiazole-5-carboxylic 2-(1-oxo-1,4-thiazinan-4-yl)thia…

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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 3.32 -62.28 0 5 -1 73 245.305 2 ↓
Lo Low (pH 4.5-6) -0.24 3.75 -55.02 1 5 0 75 246.313 2 ↓

Analogs

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Popular Name: (1R)-1-[4-methyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]ethanol (1R)-1-[4-methyl-2-(1-oxo-1,4-th…

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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) -0.02 1.31 -19.26 1 4 0 53 260.384 2 ↓
Lo Low (pH 4.5-6) -0.02 1.71 -39.05 2 4 1 55 261.392 2 ↓

Analogs

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Popular Name: (1S)-1-[4-methyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]ethanol (1S)-1-[4-methyl-2-(1-oxo-1,4-th…

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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) -0.02 1.33 -18.84 1 4 0 53 260.384 2 ↓
Lo Low (pH 4.5-6) -0.02 1.73 -39.58 2 4 1 55 261.392 2 ↓

Analogs

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Popular Name: [2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]methanol [2-(1-oxo-1,4-thiazinan-4-yl)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) -0.47 0.02 -18.7 1 4 0 53 232.33 2 ↓
Lo Low (pH 4.5-6) -0.47 0.47 -41.72 2 4 1 55 233.338 2 ↓

Analogs

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Popular Name: (1S)-1-[2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]ethanol (1S)-1-[2-(1-oxo-1,4-thiazinan-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) -0.24 0.85 -17.67 1 4 0 53 246.357 2 ↓
Lo Low (pH 4.5-6) -0.24 1.28 -42.23 2 4 1 55 247.365 2 ↓

Analogs

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Popular Name: (1R)-1-[2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]ethanol (1R)-1-[2-(1-oxo-1,4-thiazinan-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) -0.24 0.85 -17.25 1 4 0 53 246.357 2 ↓
Lo Low (pH 4.5-6) -0.24 1.26 -41.81 2 4 1 55 247.365 2 ↓

Analogs

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Popular Name: 4-methyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazole-5-carbaldehyde 4-methyl-2-(1-oxo-1,4-thiazinan-…

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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) 0.20 3 -21.29 0 4 0 50 244.341 2 ↓

Analogs

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Popular Name: 4-ethyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazole-5-carbaldehyde 4-ethyl-2-(1-oxo-1,4-thiazinan-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) 0.78 3.73 -20.88 0 4 0 50 258.368 3 ↓

Analogs

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Popular Name: 2-(1-oxo-1,4-thiazinan-4-yl)-4-propyl-thiazole-5-carbaldehyde 2-(1-oxo-1,4-thiazinan-4-yl)-4-p…

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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) 1.28 4.51 -20.57 0 4 0 50 272.395 4 ↓

Analogs

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Popular Name: 4-tert-butyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazole-5-carbaldehyde 4-tert-butyl-2-(1-oxo-1,4-thiazi…

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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) 1.93 4.78 -20.07 0 4 0 50 286.422 3 ↓

Analogs

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Popular Name: 4-methyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazole-5-carboxylic 4-methyl-2-(1-oxo-1,4-thiazinan-…

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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) -0.01 3.82 -62.48 0 5 -1 73 259.332 2 ↓
Lo Low (pH 4.5-6) -0.01 4.2 -53.83 1 5 0 75 260.34 2 ↓

Analogs

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Popular Name: 4-tert-butyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazole-5-carboxylic 4-tert-butyl-2-(1-oxo-1,4-thiazi…

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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) 1.71 5.57 -60.54 0 5 -1 73 301.413 3 ↓
Lo Low (pH 4.5-6) 1.71 5.88 -50.53 1 5 0 75 302.421 3 ↓

Analogs

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Popular Name: 4-ethyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazole-5-carboxylic 4-ethyl-2-(1-oxo-1,4-thiazinan-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) 0.56 4.53 -62.74 0 5 -1 73 273.359 3 ↓
Lo Low (pH 4.5-6) 0.56 4.89 -53.62 1 5 0 75 274.367 3 ↓

Analogs

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Popular Name: 2-(1-oxo-1,4-thiazinan-4-yl)-4-propyl-thiazole-5-carboxylic 2-(1-oxo-1,4-thiazinan-4-yl)-4-p…

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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) 1.06 5.31 -63.22 0 5 -1 73 287.386 4 ↓
Mid Mid (pH 6-8) 1.06 5.66 -53.71 1 5 0 75 288.394 4 ↓

Analogs

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Popular Name: N-[[2-(1-oxo-1,4-thiazinan-4-yl)-4-propyl-thiazol-5-yl]methyl]ethanamine N-[[2-(1-oxo-1,4-thiazinan-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) 1.42 5.57 -51.6 2 4 1 50 302.489 6 ↓
Hi High (pH 8-9.5) 1.42 4.2 -16.38 1 4 0 45 301.481 6 ↓

Analogs

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Popular Name: N-[[2-(1-oxo-1,4-thiazinan-4-yl)-4-propyl-thiazol-5-yl]methyl]propan-1-amine N-[[2-(1-oxo-1,4-thiazinan-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) 1.93 6.32 -52.23 2 4 1 50 316.516 7 ↓
Hi High (pH 8-9.5) 1.93 4.97 -16.28 1 4 0 45 315.508 7 ↓

Analogs

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Popular Name: N-[[2-(1-oxo-1,4-thiazinan-4-yl)-4-propyl-thiazol-5-yl]methyl]propan-2-amine N-[[2-(1-oxo-1,4-thiazinan-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) 1.72 6.07 -49.78 2 4 1 50 316.516 6 ↓
Hi High (pH 8-9.5) 1.72 4.91 -16.26 1 4 0 45 315.508 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[2-(1-oxo-1,4-thiazinan-4-yl)-4-propyl-thiazol-5-yl]methyl]propan-2-amine 2-methyl-N-[[2-(1-oxo-1,4-thiazi…

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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 6.51 -47.76 2 4 1 50 330.543 6 ↓
Hi High (pH 8-9.5) 2.23 5.3 -16.06 1 4 0 45 329.535 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[2-(1-oxo-1,4-thiazinan-4-yl)-4-propyl-thiazol-5-yl]methyl]propan-1-amine 2-methyl-N-[[2-(1-oxo-1,4-thiazi…

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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) 2.17 7.02 -52.06 2 4 1 50 330.543 7 ↓
Hi High (pH 8-9.5) 2.17 5.8 -16.12 1 4 0 45 329.535 7 ↓

Analogs

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Popular Name: 2-methoxy-N-[[2-(1-oxo-1,4-thiazinan-4-yl)-4-propyl-thiazol-5-yl]methyl]ethanamine 2-methoxy-N-[[2-(1-oxo-1,4-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) 1.03 4.71 -51.8 2 5 1 59 332.515 8 ↓
Mid Mid (pH 6-8) 1.03 3.28 -18.41 1 5 0 54 331.507 8 ↓

Analogs

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Popular Name: [4-methyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]methanamine [4-methyl-2-(1-oxo-1,4-thiazinan…

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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) -0.40 1.26 -57.98 3 4 1 61 246.381 2 ↓
Mid Mid (pH 6-8) -0.40 0.87 -17.03 2 4 0 59 245.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-tert-butyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]methanamine [4-tert-butyl-2-(1-oxo-1,4-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) 1.32 3.16 -56.41 3 4 1 61 288.462 3 ↓
Mid Mid (pH 6-8) 1.32 2.76 -16.66 2 4 0 59 287.454 3 ↓

Analogs

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Popular Name: [4-ethyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]methanamine [4-ethyl-2-(1-oxo-1,4-thiazinan-…

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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) 0.17 2.05 -58.08 3 4 1 61 260.408 3 ↓
Mid Mid (pH 6-8) 0.17 1.6 -17 2 4 0 59 259.4 3 ↓

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