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Analogs

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Popular Name: 4-[4-(chloromethyl)thiazol-2-yl]-1,4-thiazinane 4-[4-(chloromethyl)thiazol-2-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) 1.17 2.66 -12.92 0 4 0 50 266.775 2 ↓

Analogs

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Popular Name: 2-(1,1-dioxo-1,4-thiazinan-4-yl)thiazole-5-carbaldehyde 2-(1,1-dioxo-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) 0.38 1.39 -16.09 0 5 0 67 246.313 2 ↓

Analogs

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Popular Name: 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)thiazol-5-yl]ethanone 1-[2-(1,1-dioxo-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) 0.49 2.1 -16.83 0 5 0 67 260.34 2 ↓

Analogs

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Popular Name: 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-thiazol-5-yl]ethanone 1-[2-(1,1-dioxo-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) 0.72 2.79 -15.91 0 5 0 67 274.367 2 ↓

Analogs

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Popular Name: (1R)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-thiazol-5-yl]ethanamine (1R)-1-[2-(1,1-dioxo-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) -1.32 0.87 -54.8 3 5 1 78 276.407 2 ↓
Mid Mid (pH 6-8) -1.32 0.53 -12.41 2 5 0 76 275.399 2 ↓

Analogs

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Popular Name: (1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-thiazol-5-yl]ethanamine (1S)-1-[2-(1,1-dioxo-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) -1.32 0.88 -54.85 3 5 1 78 276.407 2 ↓
Mid Mid (pH 6-8) -1.32 0.54 -12.66 2 5 0 76 275.399 2 ↓

Analogs

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Popular Name: [2-(1,1-dioxo-1,4-thiazinan-4-yl)thiazol-5-yl]methanamine [2-(1,1-dioxo-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) -0.22 -0.31 -56.17 3 5 1 78 248.353 2 ↓
Mid Mid (pH 6-8) -0.22 -0.72 -12.33 2 5 0 76 247.345 2 ↓

Analogs

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Popular Name: (1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)thiazol-5-yl]ethanamine (1S)-1-[2-(1,1-dioxo-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) -1.54 0.35 -54.31 3 5 1 78 262.38 2 ↓
Mid Mid (pH 6-8) -1.54 0.03 -12.32 2 5 0 76 261.372 2 ↓

Analogs

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Popular Name: (1R)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)thiazol-5-yl]ethanamine (1R)-1-[2-(1,1-dioxo-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) -1.54 0.36 -54.41 3 5 1 78 262.38 2 ↓
Mid Mid (pH 6-8) -1.54 0.02 -12.1 2 5 0 76 261.372 2 ↓

Analogs

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Popular Name: (1R)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-thiazol-5-yl]-N-methyl-ethanamine (1R)-1-[2-(1,1-dioxo-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) 0.94 2.58 -49.45 2 5 1 67 290.434 3 ↓
Hi High (pH 8-9.5) 0.94 1.3 -12.42 1 5 0 62 289.426 3 ↓

Analogs

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Popular Name: (1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-thiazol-5-yl]-N-methyl-ethanamine (1S)-1-[2-(1,1-dioxo-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) 0.94 2.6 -49.48 2 5 1 67 290.434 3 ↓
Hi High (pH 8-9.5) 0.94 1.3 -11.85 1 5 0 62 289.426 3 ↓

Analogs

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Popular Name: (1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-thiazol-5-yl]-N-ethyl-ethanamine (1S)-1-[2-(1,1-dioxo-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) 1.31 3.42 -48.32 2 5 1 67 304.461 4 ↓
Hi High (pH 8-9.5) 1.31 2.24 -12.18 1 5 0 62 303.453 4 ↓

Analogs

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Popular Name: (1R)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-thiazol-5-yl]-N-ethyl-ethanamine (1R)-1-[2-(1,1-dioxo-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) 1.31 3.44 -47.95 2 5 1 67 304.461 4 ↓
Hi High (pH 8-9.5) 1.31 2.23 -11.6 1 5 0 62 303.453 4 ↓

Analogs

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Popular Name: N-[(1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-thiazol-5-yl]ethyl]propan-1-amine N-[(1S)-1-[2-(1,1-dioxo-1,4-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) 1.81 4.18 -49.05 2 5 1 67 318.488 5 ↓
Hi High (pH 8-9.5) 1.81 2.99 -12.05 1 5 0 62 317.48 5 ↓

Analogs

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Popular Name: N-[(1R)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-thiazol-5-yl]ethyl]propan-1-amine N-[(1R)-1-[2-(1,1-dioxo-1,4-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) 1.81 4.2 -48.63 2 5 1 67 318.488 5 ↓
Hi High (pH 8-9.5) 1.81 2.99 -11.55 1 5 0 62 317.48 5 ↓

Analogs

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Popular Name: 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)thiazol-5-yl]-N-methyl-methanamine 1-[2-(1,1-dioxo-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) 0.15 1.56 -50.65 2 5 1 67 262.38 3 ↓
Hi High (pH 8-9.5) 0.15 0.11 -12.01 1 5 0 62 261.372 3 ↓

Analogs

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Popular Name: N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)thiazol-5-yl]methyl]ethanamine N-[[2-(1,1-dioxo-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) 0.53 2.43 -49.81 2 5 1 67 276.407 4 ↓
Hi High (pH 8-9.5) 0.53 1.06 -11.93 1 5 0 62 275.399 4 ↓

Analogs

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Popular Name: N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)thiazol-5-yl]methyl]propan-1-amine N-[[2-(1,1-dioxo-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) 1.03 3.18 -50.7 2 5 1 67 290.434 5 ↓
Hi High (pH 8-9.5) 1.03 1.82 -11.73 1 5 0 62 289.426 5 ↓

Analogs

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Popular Name: N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)thiazol-5-yl]methyl]propan-2-amine N-[[2-(1,1-dioxo-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) 0.83 2.96 -48.26 2 5 1 67 290.434 4 ↓
Hi High (pH 8-9.5) 0.83 1.73 -11.78 1 5 0 62 289.426 4 ↓

Analogs

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Popular Name: N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)thiazol-5-yl]methyl]-2-methyl-propan-2-amine N-[[2-(1,1-dioxo-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) 1.34 3.39 -46.5 2 5 1 67 304.461 4 ↓
Hi High (pH 8-9.5) 1.34 2.14 -11.66 1 5 0 62 303.453 4 ↓

Analogs

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Popular Name: N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)thiazol-5-yl]methyl]-2-methyl-propan-1-amine N-[[2-(1,1-dioxo-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) 1.28 3.87 -50.72 2 5 1 67 304.461 5 ↓
Hi High (pH 8-9.5) 1.28 2.5 -11.66 1 5 0 62 303.453 5 ↓

Analogs

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Popular Name: N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)thiazol-5-yl]methyl]-2-methoxy-ethanamine N-[[2-(1,1-dioxo-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) 0.14 1.56 -50.11 2 6 1 76 306.433 6 ↓
Mid Mid (pH 6-8) 0.14 0.21 -12.78 1 6 0 72 305.425 6 ↓

Analogs

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Popular Name: (1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)thiazol-5-yl]-N-methyl-ethanamine (1S)-1-[2-(1,1-dioxo-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) 0.71 2.11 -48.89 2 5 1 67 276.407 3 ↓
Hi High (pH 8-9.5) 0.71 0.83 -11.52 1 5 0 62 275.399 3 ↓

Analogs

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Popular Name: (1R)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)thiazol-5-yl]-N-methyl-ethanamine (1R)-1-[2-(1,1-dioxo-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) 0.71 2.11 -49.09 2 5 1 67 276.407 3 ↓
Hi High (pH 8-9.5) 0.71 0.84 -12 1 5 0 62 275.399 3 ↓

Analogs

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Popular Name: (1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)thiazol-5-yl]-N-ethyl-ethanamine (1S)-1-[2-(1,1-dioxo-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) 1.09 2.94 -47.65 2 5 1 67 290.434 4 ↓
Hi High (pH 8-9.5) 1.09 1.78 -11.92 1 5 0 62 289.426 4 ↓

Analogs

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Popular Name: (1R)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)thiazol-5-yl]-N-ethyl-ethanamine (1R)-1-[2-(1,1-dioxo-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) 1.09 2.94 -47.75 2 5 1 67 290.434 4 ↓
Hi High (pH 8-9.5) 1.09 1.74 -11.32 1 5 0 62 289.426 4 ↓

Analogs

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Popular Name: N-[(1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)thiazol-5-yl]ethyl]propan-1-amine N-[(1S)-1-[2-(1,1-dioxo-1,4-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) 1.59 3.7 -48.38 2 5 1 67 304.461 5 ↓
Hi High (pH 8-9.5) 1.59 2.53 -11.81 1 5 0 62 303.453 5 ↓

Analogs

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Popular Name: N-[(1R)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)thiazol-5-yl]ethyl]propan-1-amine N-[(1R)-1-[2-(1,1-dioxo-1,4-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) 1.59 3.7 -48.56 2 5 1 67 304.461 5 ↓
Hi High (pH 8-9.5) 1.59 2.49 -11.24 1 5 0 62 303.453 5 ↓

Analogs

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Popular Name: 2-(1,1-dioxo-1,4-thiazinan-4-yl)thiazole-5-carboxylic 2-(1,1-dioxo-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) 0.17 2.25 -54.32 0 6 -1 90 261.304 2 ↓
Lo Low (pH 4.5-6) 0.17 2.68 -51.76 1 6 0 92 262.312 2 ↓

Analogs

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Popular Name: (1R)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-thiazol-5-yl]ethanol (1R)-1-[2-(1,1-dioxo-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) 0.38 0.25 -13.33 1 5 0 71 276.383 2 ↓
Lo Low (pH 4.5-6) 0.38 0.64 -39.21 2 5 1 72 277.391 2 ↓

Analogs

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Popular Name: (1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-thiazol-5-yl]ethanol (1S)-1-[2-(1,1-dioxo-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) 0.38 0.27 -13.34 1 5 0 71 276.383 2 ↓
Lo Low (pH 4.5-6) 0.38 0.66 -39.24 2 5 1 72 277.391 2 ↓

Analogs

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Popular Name: [2-(1,1-dioxo-1,4-thiazinan-4-yl)thiazol-5-yl]methanol [2-(1,1-dioxo-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) -0.07 -1.05 -14.41 1 5 0 71 248.329 2 ↓
Lo Low (pH 4.5-6) -0.07 -0.61 -41.81 2 5 1 72 249.337 2 ↓

Analogs

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Popular Name: (1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)thiazol-5-yl]ethanol (1S)-1-[2-(1,1-dioxo-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) 0.16 -0.21 -13.15 1 5 0 71 262.356 2 ↓

Analogs

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Popular Name: (1R)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)thiazol-5-yl]ethanol (1R)-1-[2-(1,1-dioxo-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) 0.16 -0.22 -13.15 1 5 0 71 262.356 2 ↓

Analogs

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Popular Name: 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-thiazole-5-carbaldehyde 2-(1,1-dioxo-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) 0.61 1.93 -16.62 0 5 0 67 260.34 2 ↓

Analogs

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Popular Name: 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-ethyl-thiazole-5-carbaldehyde 2-(1,1-dioxo-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) 1.18 2.66 -16.07 0 5 0 67 274.367 3 ↓

Analogs

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Popular Name: 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propyl-thiazole-5-carbaldehyde 2-(1,1-dioxo-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) 1.68 3.44 -15.84 0 5 0 67 288.394 4 ↓

Analogs

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Popular Name: 4-tert-butyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)thiazole-5-carbaldehyde 4-tert-butyl-2-(1,1-dioxo-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) 2.33 3.71 -15.31 0 5 0 67 302.421 3 ↓

Analogs

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Popular Name: 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-thiazole-5-carboxylic 2-(1,1-dioxo-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) 0.39 2.76 -54.45 0 6 -1 90 275.331 2 ↓
Lo Low (pH 4.5-6) 0.39 3.13 -50.2 1 6 0 92 276.339 2 ↓

Analogs

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Popular Name: 4-tert-butyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)thiazole-5-carboxylic 4-tert-butyl-2-(1,1-dioxo-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) 2.11 4.51 -52.49 0 6 -1 90 317.412 3 ↓
Lo Low (pH 4.5-6) 2.11 4.83 -46.68 1 6 0 92 318.42 3 ↓

Analogs

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Popular Name: 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-ethyl-thiazole-5-carboxylic 2-(1,1-dioxo-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) 0.96 3.48 -54.7 0 6 -1 90 289.358 3 ↓
Lo Low (pH 4.5-6) 0.96 3.81 -50 1 6 0 92 290.366 3 ↓

Analogs

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Popular Name: 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propyl-thiazole-5-carboxylic 2-(1,1-dioxo-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) 1.46 4.24 -55.15 0 6 -1 90 303.385 4 ↓
Lo Low (pH 4.5-6) 1.46 4.58 -50.14 1 6 0 92 304.393 4 ↓

Analogs

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Popular Name: N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propyl-thiazol-5-yl]methyl]ethanamine N-[[2-(1,1-dioxo-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) 1.83 4.5 -50.35 2 5 1 67 318.488 6 ↓
Hi High (pH 8-9.5) 1.83 3.12 -11.76 1 5 0 62 317.48 6 ↓

Analogs

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Popular Name: N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propyl-thiazol-5-yl]methyl]propan-1-amine N-[[2-(1,1-dioxo-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) 2.33 5.25 -51.08 2 5 1 67 332.515 7 ↓
Hi High (pH 8-9.5) 2.33 3.89 -11.63 1 5 0 62 331.507 7 ↓

Analogs

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Popular Name: N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propyl-thiazol-5-yl]methyl]propan-2-amine N-[[2-(1,1-dioxo-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) 2.12 5.02 -48.43 2 5 1 67 332.515 6 ↓
Hi High (pH 8-9.5) 2.12 3.83 -11.58 1 5 0 62 331.507 6 ↓

Analogs

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Popular Name: [2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-thiazol-5-yl]methanamine [2-(1,1-dioxo-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) 0.00 0.19 -56.49 3 5 1 78 262.38 2 ↓
Mid Mid (pH 6-8) 0.00 -0.2 -12.63 2 5 0 76 261.372 2 ↓

Analogs

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Popular Name: [4-tert-butyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)thiazol-5-yl]methanamine [4-tert-butyl-2-(1,1-dioxo-1,4-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) 1.73 2.08 -56.55 3 5 1 78 304.461 3 ↓
Mid Mid (pH 6-8) 1.73 1.76 -12.25 2 5 0 76 303.453 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-ethyl-thiazol-5-yl]methanamine [2-(1,1-dioxo-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) 0.57 0.98 -56.66 3 5 1 78 276.407 3 ↓
Mid Mid (pH 6-8) 0.57 0.6 -12.57 2 5 0 76 275.399 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propyl-thiazol-5-yl]methanamine [2-(1,1-dioxo-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) 1.08 1.76 -57.01 3 5 1 78 290.434 4 ↓
Mid Mid (pH 6-8) 1.08 1.3 -12.32 2 5 0 76 289.426 4 ↓

Analogs

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Popular Name: 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-thiazol-5-yl]-N-methyl-methanamine 1-[2-(1,1-dioxo-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) 0.38 2.07 -50.9 2 5 1 67 276.407 3 ↓
Hi High (pH 8-9.5) 0.38 0.62 -12.17 1 5 0 62 275.399 3 ↓

Parameters Provided:

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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 = 80172 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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