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Analogs

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Popular Name: 2-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]aniline 2-[2-(1,1-dioxobenzo[e][1,2,4]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) 2.23 5.27 -12.66 2 5 0 76 301.371 3 ↓

Analogs

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Popular Name: 2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)-N-(2-thienylmethyl)ethanamine 2-(1,1-dioxobenzo[e][1,2,4]thiad…

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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) 2.07 5.78 -58.66 2 5 1 66 322.435 5 ↓
Mid Mid (pH 6-8) 2.07 4.43 -13.22 1 5 0 62 321.427 5 ↓

Analogs

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Popular Name: N-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]butan-1-amine N-[2-(1,1-dioxobenzo[e][1,2,4]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) 1.86 5.16 -54.29 2 5 1 66 282.389 6 ↓
Hi High (pH 8-9.5) 1.86 3.82 -11.89 1 5 0 62 281.381 6 ↓

Analogs

42410591
42410591

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Popular Name: (2R)-N-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]butan-2-amine (2R)-N-[2-(1,1-dioxobenzo[e][1,2…

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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) 1.98 4.97 -51.21 2 5 1 66 282.389 5 ↓
Hi High (pH 8-9.5) 1.98 3.92 -11.71 1 5 0 62 281.381 5 ↓

Analogs

42410591
42410591

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Popular Name: (2S)-N-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]butan-2-amine (2S)-N-[2-(1,1-dioxobenzo[e][1,2…

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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) 1.98 4.97 -51.02 2 5 1 66 282.389 5 ↓
Hi High (pH 8-9.5) 1.98 3.76 -11.86 1 5 0 62 281.381 5 ↓

Analogs

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Popular Name: (2S)-N-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]-1-methoxy-propan-2-amine (2S)-N-[2-(1,1-dioxobenzo[e][1,2…

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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) 1.09 3.37 -49.81 2 6 1 76 298.388 6 ↓
Mid Mid (pH 6-8) 1.09 2.12 -12.63 1 6 0 71 297.38 6 ↓

Analogs

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Popular Name: (2R)-N-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]-1-methoxy-propan-2-amine (2R)-N-[2-(1,1-dioxobenzo[e][1,2…

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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) 1.09 3.36 -52.11 2 6 1 76 298.388 6 ↓
Mid Mid (pH 6-8) 1.09 2.14 -12.82 1 6 0 71 297.38 6 ↓

Analogs

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Popular Name: 2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethanamine 2-(1,1-dioxobenzo[e][1,2,4]thiad…

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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) 0.80 4.01 -53.32 2 6 1 76 310.399 5 ↓
Mid Mid (pH 6-8) 0.80 2.59 -12.85 1 6 0 71 309.391 5 ↓

Analogs

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Popular Name: 2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]ethanamine 2-(1,1-dioxobenzo[e][1,2,4]thiad…

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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) 0.80 4.02 -55.12 2 6 1 76 310.399 5 ↓
Mid Mid (pH 6-8) 0.80 2.68 -13.17 1 6 0 71 309.391 5 ↓

Analogs

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Popular Name: 4-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)-N-propyl-butan-1-amine 4-(1,1-dioxobenzo[e][1,2,4]thiad…

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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) 1.84 5.93 -50.94 2 5 1 66 296.416 7 ↓

Analogs

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Popular Name: 4-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)-N-isopropyl-butan-1-amine 4-(1,1-dioxobenzo[e][1,2,4]thiad…

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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 5.71 -48.89 2 5 1 66 296.416 6 ↓

Analogs

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Popular Name: N-[4-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)butyl]cyclopropanamine N-[4-(1,1-dioxobenzo[e][1,2,4]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) 1.68 5.93 -49.78 2 5 1 66 294.4 6 ↓

Analogs

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Popular Name: N-tert-butyl-4-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)butan-1-amine N-tert-butyl-4-(1,1-dioxobenzo[e…

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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 6.14 -48.08 2 5 1 66 310.443 6 ↓

Analogs

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Popular Name: 4-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)-N-isobutyl-butan-1-amine 4-(1,1-dioxobenzo[e][1,2,4]thiad…

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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) 2.09 6.61 -51.09 2 5 1 66 310.443 7 ↓

Analogs

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Popular Name: 4-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)-N-(2-methoxyethyl)butan-1-amine 4-(1,1-dioxobenzo[e][1,2,4]thiad…

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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) 0.95 4.31 -50.4 2 6 1 76 312.415 8 ↓

Analogs

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Popular Name: (2R)-N-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]pentan-2-amine (2R)-N-[2-(1,1-dioxobenzo[e][1,2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.54 5.73 -52.41 2 5 1 66 296.416 6 ↓
Hi High (pH 8-9.5) 2.54 4.7 -11.71 1 5 0 62 295.408 6 ↓

Analogs

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Popular Name: (2S)-N-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]pentan-2-amine (2S)-N-[2-(1,1-dioxobenzo[e][1,2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.54 5.72 -52.05 2 5 1 66 296.416 6 ↓
Hi High (pH 8-9.5) 2.54 4.54 -11.7 1 5 0 62 295.408 6 ↓

Analogs

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Popular Name: N-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]-3-methyl-butan-1-amine N-[2-(1,1-dioxobenzo[e][1,2,4]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) 2.08 5.67 -54.95 2 5 1 66 296.416 6 ↓
Hi High (pH 8-9.5) 2.08 4.32 -11.84 1 5 0 62 295.408 6 ↓

Analogs

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Popular Name: N-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]-3-methoxy-propan-1-amine N-[2-(1,1-dioxobenzo[e][1,2,4]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) 0.68 3.45 -56.64 2 6 1 76 298.388 7 ↓
Hi High (pH 8-9.5) 0.68 2.11 -13.29 1 6 0 71 297.38 7 ↓

Analogs

42410591
42410591

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Popular Name: N-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]pentan-3-amine N-[2-(1,1-dioxobenzo[e][1,2,4]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) 2.52 5.58 -51.88 2 5 1 66 296.416 6 ↓
Hi High (pH 8-9.5) 2.52 4.54 -11.78 1 5 0 62 295.408 6 ↓

Analogs

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Popular Name: 2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)-N-(2-furylmethyl)ethanamine 2-(1,1-dioxobenzo[e][1,2,4]thiad…

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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) 1.43 4.8 -58.95 2 6 1 79 306.367 5 ↓
Hi High (pH 8-9.5) 1.43 3.43 -14.32 1 6 0 75 305.359 5 ↓

Analogs

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Popular Name: N-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]prop-2-en-1-amine N-[2-(1,1-dioxobenzo[e][1,2,4]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) 1.07 4.19 -53.31 2 5 1 66 266.346 5 ↓
Mid Mid (pH 6-8) 1.07 2.82 -12.02 1 5 0 62 265.338 5 ↓

Analogs

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Popular Name: N-(cyclopentylmethyl)-2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethanamine N-(cyclopentylmethyl)-2-(1,1-dio…

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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) 2.21 6.31 -57.66 2 5 1 66 308.427 5 ↓
Hi High (pH 8-9.5) 2.21 4.96 -11.5 1 5 0 62 307.419 5 ↓

Analogs

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Popular Name: N-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]-2-ethoxy-ethanamine N-[2-(1,1-dioxobenzo[e][1,2,4]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) 0.78 3.74 -53.25 2 6 1 76 298.388 7 ↓
Mid Mid (pH 6-8) 0.78 2.39 -13.16 1 6 0 71 297.38 7 ↓

Analogs

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Popular Name: 2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)-N-[[(3S)-tetrahydrofuran-3-yl]methyl]ethanamine 2-(1,1-dioxobenzo[e][1,2,4]thiad…

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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 3.77 -60.04 2 6 1 76 310.399 5 ↓
Hi High (pH 8-9.5) 0.91 2.45 -13.23 1 6 0 71 309.391 5 ↓

Analogs

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Popular Name: 2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)-N-[[(3R)-tetrahydrofuran-3-yl]methyl]ethanamine 2-(1,1-dioxobenzo[e][1,2,4]thiad…

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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 3.79 -61.85 2 6 1 76 310.399 5 ↓
Hi High (pH 8-9.5) 0.91 2.44 -13.7 1 6 0 71 309.391 5 ↓

Analogs

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Popular Name: N-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]-4-methyl-pentan-1-amine N-[2-(1,1-dioxobenzo[e][1,2,4]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) 2.35 6.45 -55.46 2 5 1 66 310.443 7 ↓
Hi High (pH 8-9.5) 2.35 5.1 -11.9 1 5 0 62 309.435 7 ↓

Analogs

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Popular Name: N-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]-3,3-dimethyl-butan-1-amine N-[2-(1,1-dioxobenzo[e][1,2,4]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) 2.40 6.05 -55.54 2 5 1 66 310.443 6 ↓
Hi High (pH 8-9.5) 2.40 4.7 -11.76 1 5 0 62 309.435 6 ↓

Analogs

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Popular Name: N-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]-2-methylsulfonyl-ethanamine N-[2-(1,1-dioxobenzo[e][1,2,4]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) -0.18 1.16 -71.56 2 7 1 100 332.427 6 ↓
Mid Mid (pH 6-8) -0.18 -0.19 -23.84 1 7 0 96 331.419 6 ↓

Analogs

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Popular Name: 2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)-N-(3-furylmethyl)ethanamine 2-(1,1-dioxobenzo[e][1,2,4]thiad…

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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) 1.12 4.63 -58.64 2 6 1 79 306.367 5 ↓
Mid Mid (pH 6-8) 1.12 3.27 -13.99 1 6 0 75 305.359 5 ↓

Analogs

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Popular Name: N-[3-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)propyl]cyclopentanamine N-[3-(1,1-dioxobenzo[e][1,2,4]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) 2.44 6.35 -53.71 2 5 1 66 308.427 5 ↓

Analogs

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Popular Name: N-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]-2,2,2-trifluoro-ethanamine N-[2-(1,1-dioxobenzo[e][1,2,4]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) 1.35 2.76 -13.69 1 5 0 62 307.297 5 ↓
Lo Low (pH 4.5-6) 1.35 4.11 -61.51 2 5 1 66 308.305 5 ↓

Analogs

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Popular Name: (2R)-N-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]-3-methyl-butan-2-amine (2R)-N-[2-(1,1-dioxobenzo[e][1,2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.23 5.46 -51.75 2 5 1 66 296.416 5 ↓
Hi High (pH 8-9.5) 2.23 4.47 -11.73 1 5 0 62 295.408 5 ↓

Analogs

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Popular Name: (2S)-N-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]-3-methyl-butan-2-amine (2S)-N-[2-(1,1-dioxobenzo[e][1,2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.23 5.39 -51.67 2 5 1 66 296.416 5 ↓
Hi High (pH 8-9.5) 2.23 4.34 -11.77 1 5 0 62 295.408 5 ↓

Analogs

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Popular Name: N-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]-3-ethoxy-propan-1-amine N-[2-(1,1-dioxobenzo[e][1,2,4]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) 1.05 4.42 -56.61 2 6 1 76 312.415 8 ↓
Hi High (pH 8-9.5) 1.05 3.07 -13.31 1 6 0 71 311.407 8 ↓

Analogs

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Popular Name: N-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]prop-2-yn-1-amine N-[2-(1,1-dioxobenzo[e][1,2,4]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) 0.58 2.75 -13.23 1 5 0 62 263.322 4 ↓
Mid Mid (pH 6-8) 0.58 4.13 -54.59 2 5 1 66 264.33 4 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]ethanamine (1S)-1-cyclopropyl-N-[2-(1,1-dio…

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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) 1.98 5.5 -52.47 2 5 1 66 294.4 5 ↓
Hi High (pH 8-9.5) 1.98 4.31 -11.96 1 5 0 62 293.392 5 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]ethanamine (1R)-1-cyclopropyl-N-[2-(1,1-dio…

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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) 1.98 5.6 -52.58 2 5 1 66 294.4 5 ↓
Hi High (pH 8-9.5) 1.98 4.43 -11.77 1 5 0 62 293.392 5 ↓

Analogs

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Popular Name: N-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]pentan-1-amine N-[2-(1,1-dioxobenzo[e][1,2,4]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) 2.37 5.95 -54.81 2 5 1 66 296.416 7 ↓
Hi High (pH 8-9.5) 2.37 4.6 -11.9 1 5 0 62 295.408 7 ↓

Analogs

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Popular Name: N-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]hexan-1-amine N-[2-(1,1-dioxobenzo[e][1,2,4]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) 2.87 6.73 -54.95 2 5 1 66 310.443 8 ↓
Hi High (pH 8-9.5) 2.87 5.38 -11.87 1 5 0 62 309.435 8 ↓

Analogs

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Popular Name: N-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]-2-methyl-butan-2-amine N-[2-(1,1-dioxobenzo[e][1,2,4]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) 2.46 5.07 -51.02 2 5 1 66 296.416 5 ↓
Hi High (pH 8-9.5) 2.46 3.86 -11.75 1 5 0 62 295.408 5 ↓

Analogs

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Popular Name: N'-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]-N,N-dimethyl-ethane-1,2-diamine N'-[2-(1,1-dioxobenzo[e][1,2,4]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) 0.45 3.56 -44.94 2 6 1 66 297.404 6 ↓
Mid Mid (pH 6-8) 0.45 1.09 -12.67 1 6 0 65 296.396 6 ↓
Mid Mid (pH 6-8) 0.45 2.45 -55.3 2 6 1 70 297.404 6 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethanamine N-(cyclopropylmethyl)-2-(1,1-dio…

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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) 1.29 5.21 -56.28 2 5 1 66 280.373 5 ↓
Hi High (pH 8-9.5) 1.29 3.86 -11.63 1 5 0 62 279.365 5 ↓

Analogs

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Popular Name: N'-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]-N,N-dimethyl-propane-1,3-diamine N'-[2-(1,1-dioxobenzo[e][1,2,4]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) 0.72 4.35 -44.93 2 6 1 66 311.431 7 ↓
Mid Mid (pH 6-8) 0.72 5.7 -118.62 3 6 2 71 312.439 7 ↓

Analogs

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Popular Name: N-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]-2-methyl-propan-1-amine N-[2-(1,1-dioxobenzo[e][1,2,4]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) 1.55 5.07 -53.35 2 5 1 66 282.389 5 ↓
Hi High (pH 8-9.5) 1.55 3.72 -11.84 1 5 0 62 281.381 5 ↓

Analogs

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Popular Name: N-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]-2-methoxy-ethanamine N-[2-(1,1-dioxobenzo[e][1,2,4]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) 0.41 2.77 -53.06 2 6 1 76 284.361 6 ↓
Mid Mid (pH 6-8) 0.41 1.43 -13.32 1 6 0 71 283.353 6 ↓

Analogs

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Popular Name: N-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]aniline N-[2-(1,1-dioxobenzo[e][1,2,4]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) 2.47 5.47 -14.88 1 5 0 62 301.371 4 ↓

Analogs

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Popular Name: N-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]cyclohexanamine N-[2-(1,1-dioxobenzo[e][1,2,4]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) 2.68 6.05 -55.4 2 5 1 66 308.427 4 ↓
Hi High (pH 8-9.5) 2.68 4.86 -11.48 1 5 0 62 307.419 4 ↓

Analogs

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Popular Name: N-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]cyclopentanamine N-[2-(1,1-dioxobenzo[e][1,2,4]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) 2.17 5.57 -54.68 2 5 1 66 294.4 4 ↓
Hi High (pH 8-9.5) 2.17 4.36 -11.46 1 5 0 62 293.392 4 ↓

Analogs

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Popular Name: N-[3-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)propyl]-2-methyl-propan-1-amine N-[3-(1,1-dioxobenzo[e][1,2,4]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) 1.82 5.83 -52.06 2 5 1 66 296.416 6 ↓

Parameters Provided:

ring.id = 35445
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 = 35445 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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