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Analogs

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Popular Name: 4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-amine 4,5-dihydrothieno[3,2-e][1,3]ben…

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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) 2.43 4.48 -8.59 2 2 0 39 208.311 0 ↓
Lo Low (pH 4.5-6) 2.43 4.92 -27.2 3 2 1 40 209.319 0 ↓

Analogs

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Popular Name: 2-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)acetonitrile 2-(4,5-dihydrothieno[3,2-e][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) 2.52 6.68 -12.48 0 2 0 37 232.333 1 ↓

Analogs

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Popular Name: 4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-ylmethanamine 4,5-dihydrothieno[3,2-e][1,3]ben…

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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) 1.74 3.56 -47.22 3 2 1 41 223.346 1 ↓
Mid Mid (pH 6-8) 1.74 3.16 -9.08 2 2 0 39 222.338 1 ↓

Analogs

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Popular Name: (1S)-1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)ethanamine (1S)-1-(4,5-dihydrothieno[3,2-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) 0.42 4.22 -42.96 3 2 1 41 237.373 1 ↓
Mid Mid (pH 6-8) 0.42 3.88 -7.61 2 2 0 39 236.365 1 ↓

Analogs

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Popular Name: (1R)-1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)ethanamine (1R)-1-(4,5-dihydrothieno[3,2-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) 0.42 4.22 -42.84 3 2 1 41 237.373 1 ↓
Mid Mid (pH 6-8) 0.42 3.86 -8.64 2 2 0 39 236.365 1 ↓

Analogs

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Popular Name: (1S)-1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)propan-1-amine (1S)-1-(4,5-dihydrothieno[3,2-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) 0.93 5.03 -41.64 3 2 1 41 251.4 2 ↓
Mid Mid (pH 6-8) 0.93 4.71 -6.16 2 2 0 39 250.392 2 ↓

Analogs

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Popular Name: (1R)-1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)propan-1-amine (1R)-1-(4,5-dihydrothieno[3,2-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) 0.93 5.03 -41.52 3 2 1 41 251.4 2 ↓
Mid Mid (pH 6-8) 0.93 4.67 -7.37 2 2 0 39 250.392 2 ↓

Analogs

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Popular Name: (1S)-1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)butan-1-amine (1S)-1-(4,5-dihydrothieno[3,2-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) 1.49 5.79 -42.78 3 2 1 41 265.427 3 ↓
Mid Mid (pH 6-8) 1.49 5.45 -7.31 2 2 0 39 264.419 3 ↓

Analogs

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Popular Name: (1R)-1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)butan-1-amine (1R)-1-(4,5-dihydrothieno[3,2-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) 1.49 5.79 -42.68 3 2 1 41 265.427 3 ↓
Mid Mid (pH 6-8) 1.49 5.48 -6.07 2 2 0 39 264.419 3 ↓

Analogs

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Popular Name: (1S)-1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)-2-methyl-propan-1-amine (1S)-1-(4,5-dihydrothieno[3,2-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) 1.17 5.5 -41.92 3 2 1 41 265.427 2 ↓
Mid Mid (pH 6-8) 1.17 5.21 -6.06 2 2 0 39 264.419 2 ↓

Analogs

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Popular Name: (1R)-1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)-2-methyl-propan-1-amine (1R)-1-(4,5-dihydrothieno[3,2-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) 1.17 5.9 -41.48 3 2 1 41 265.427 2 ↓
Mid Mid (pH 6-8) 1.17 5.57 -6.83 2 2 0 39 264.419 2 ↓

Analogs

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Popular Name: (R)-cyclopropyl(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)methanamine (R)-cyclopropyl(4,5-dihydrothien…

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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) 0.92 5.76 -41.9 3 2 1 41 263.411 2 ↓
Mid Mid (pH 6-8) 0.92 5.42 -7.59 2 2 0 39 262.403 2 ↓

Analogs

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Popular Name: (S)-cyclopropyl(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)methanamine (S)-cyclopropyl(4,5-dihydrothien…

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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) 0.92 5.76 -42.07 3 2 1 41 263.411 2 ↓
Mid Mid (pH 6-8) 0.92 5.41 -6.37 2 2 0 39 262.403 2 ↓

Analogs

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Popular Name: 2-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)propan-2-amine 2-(4,5-dihydrothieno[3,2-e][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) 2.75 4.8 -46.47 3 2 1 41 251.4 1 ↓
Mid Mid (pH 6-8) 2.75 4.53 -7.76 2 2 0 39 250.392 1 ↓

Analogs

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Popular Name: (2S)-2-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)butan-2-amine (2S)-2-(4,5-dihydrothieno[3,2-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) 3.25 5.54 -45.21 3 2 1 41 265.427 2 ↓
Mid Mid (pH 6-8) 3.25 5.3 -6.99 2 2 0 39 264.419 2 ↓

Analogs

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Popular Name: (2R)-2-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)butan-2-amine (2R)-2-(4,5-dihydrothieno[3,2-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) 3.25 5.51 -45.34 3 2 1 41 265.427 2 ↓
Mid Mid (pH 6-8) 3.25 5.23 -7.82 2 2 0 39 264.419 2 ↓

Analogs

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Popular Name: 3-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)pentan-3-amine 3-(4,5-dihydrothieno[3,2-e][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) 3.75 6.47 -45.58 3 2 1 41 279.454 3 ↓
Mid Mid (pH 6-8) 3.75 6.24 -6.2 2 2 0 39 278.446 3 ↓

Analogs

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Popular Name: 1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)cyclopentanamine 1-(4,5-dihydrothieno[3,2-e][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) 3.41 6.06 -47.8 3 2 1 41 277.438 1 ↓
Hi High (pH 8-9.5) 3.41 5.83 -7.23 2 2 0 39 276.43 1 ↓

Analogs

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Popular Name: 1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)cyclohexanamine 1-(4,5-dihydrothieno[3,2-e][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) 3.92 6.83 -45.34 3 2 1 41 291.465 1 ↓
Hi High (pH 8-9.5) 3.92 6.56 -7.71 2 2 0 39 290.457 1 ↓

Analogs

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Popular Name: 1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)-4-methyl-cyclohexanamine 1-(4,5-dihydrothieno[3,2-e][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) 3.69 7.23 -46.05 3 2 1 41 305.492 1 ↓
Hi High (pH 8-9.5) 3.69 7.01 -6.84 2 2 0 39 304.484 1 ↓

Analogs

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Popular Name: (1R,3R)-1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)-3-methyl-cyclohexanamine (1R,3R)-1-(4,5-dihydrothieno[3,2…

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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) 3.92 7.44 -45.88 3 2 1 41 305.492 1 ↓
Hi High (pH 8-9.5) 3.92 7.17 -7.67 2 2 0 39 304.484 1 ↓

Analogs

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Popular Name: (1R,3S)-1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)-3-methyl-cyclohexanamine (1R,3S)-1-(4,5-dihydrothieno[3,2…

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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) 3.92 7.38 -44.23 3 2 1 41 305.492 1 ↓
Hi High (pH 8-9.5) 3.92 7.6 -7.13 2 2 0 39 304.484 1 ↓

Analogs

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Popular Name: (1S,3R)-1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)-3-methyl-cyclohexanamine (1S,3R)-1-(4,5-dihydrothieno[3,2…

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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) 3.92 7.38 -44.26 3 2 1 41 305.492 1 ↓
Hi High (pH 8-9.5) 3.92 7.57 -7.13 2 2 0 39 304.484 1 ↓

Analogs

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Popular Name: (1S,3S)-1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)-3-methyl-cyclohexanamine (1S,3S)-1-(4,5-dihydrothieno[3,2…

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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) 3.92 7.44 -45.88 3 2 1 41 305.492 1 ↓
Hi High (pH 8-9.5) 3.92 7.24 -6.99 2 2 0 39 304.484 1 ↓

Analogs

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Popular Name: 1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)-4-ethyl-cyclohexanamine 1-(4,5-dihydrothieno[3,2-e][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) 4.37 8.61 -48.65 3 2 1 41 319.519 2 ↓
Hi High (pH 8-9.5) 4.37 7.62 -6.74 2 2 0 39 318.511 2 ↓

Analogs

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Popular Name: 1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)cycloheptanamine 1-(4,5-dihydrothieno[3,2-e][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) 4.42 7.6 -40.27 3 2 1 41 305.492 1 ↓
Hi High (pH 8-9.5) 4.42 7.6 -7.16 2 2 0 39 304.484 1 ↓

Analogs

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Popular Name: (1S)-1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)-2,2-dimethyl-propan-1-amine (1S)-1-(4,5-dihydrothieno[3,2-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) 1.75 6.3 -41.85 3 2 1 41 279.454 2 ↓
Hi High (pH 8-9.5) 1.75 5.98 -6.8 2 2 0 39 278.446 2 ↓

Analogs

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Popular Name: (1R)-1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)-2,2-dimethyl-propan-1-amine (1R)-1-(4,5-dihydrothieno[3,2-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) 1.75 6.31 -41.73 3 2 1 41 279.454 2 ↓
Hi High (pH 8-9.5) 1.75 6.01 -5.42 2 2 0 39 278.446 2 ↓

Analogs

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Popular Name: (S)-4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl(phenyl)methanamine (S)-4,5-dihydrothieno[3,2-e][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) 3.52 6.91 -8.23 2 2 0 39 298.436 2 ↓
Mid Mid (pH 6-8) 3.52 7.25 -43.77 3 2 1 41 299.444 2 ↓

Analogs

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Popular Name: (R)-4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl(phenyl)methanamine (R)-4,5-dihydrothieno[3,2-e][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) 3.52 6.91 -7.69 2 2 0 39 298.436 2 ↓
Mid Mid (pH 6-8) 3.52 7.25 -43.65 3 2 1 41 299.444 2 ↓

Analogs

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Popular Name: 2-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)ethanamine 2-(4,5-dihydrothieno[3,2-e][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) 1.54 4.32 -49.73 3 2 1 41 237.373 2 ↓
Hi High (pH 8-9.5) 1.54 3.92 -7.62 2 2 0 39 236.365 2 ↓

Analogs

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Popular Name: 2-piperazin-1-yl-4,5-dihydrothieno[3,2-e][1,3]benzothiazole 2-piperazin-1-yl-4,5-dihydrothie…

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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 6.83 -48.97 2 3 1 33 278.426 1 ↓
Hi High (pH 8-9.5) 2.35 5.51 -8.71 1 3 0 28 277.418 1 ↓

Analogs

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Popular Name: 2-[(2S)-pyrrolidin-2-yl]-4,5-dihydrothieno[3,2-e][1,3]benzothiazole 2-[(2S)-pyrrolidin-2-yl]-4,5-dih…

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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) 2.70 6.44 -37.29 2 2 1 29 263.411 1 ↓
Hi High (pH 8-9.5) 2.70 5.11 -9.27 1 2 0 25 262.403 1 ↓

Analogs

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Popular Name: 2-[(2R)-pyrrolidin-2-yl]-4,5-dihydrothieno[3,2-e][1,3]benzothiazole 2-[(2R)-pyrrolidin-2-yl]-4,5-dih…

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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) 2.70 6.52 -36.69 2 2 1 29 263.411 1 ↓
Hi High (pH 8-9.5) 2.70 5.17 -6.91 1 2 0 25 262.403 1 ↓

Analogs

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Popular Name: 2-[(2S)-2-piperidyl]-4,5-dihydrothieno[3,2-e][1,3]benzothiazole 2-[(2S)-2-piperidyl]-4,5-dihydro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.21 7.13 -36.31 2 2 1 29 277.438 1 ↓
Hi High (pH 8-9.5) 3.21 5.88 -7.93 1 2 0 25 276.43 1 ↓

Analogs

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Popular Name: 2-[(2R)-2-piperidyl]-4,5-dihydrothieno[3,2-e][1,3]benzothiazole 2-[(2R)-2-piperidyl]-4,5-dihydro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.21 7.14 -36.29 2 2 1 29 277.438 1 ↓
Hi High (pH 8-9.5) 3.21 5.89 -6.93 1 2 0 25 276.43 1 ↓

Analogs

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Popular Name: 2-[(3R)-3-piperidyl]-4,5-dihydrothieno[3,2-e][1,3]benzothiazole 2-[(3R)-3-piperidyl]-4,5-dihydro…

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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 7.04 -43.46 2 2 1 29 277.438 1 ↓

Analogs

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Popular Name: 2-[(3S)-3-piperidyl]-4,5-dihydrothieno[3,2-e][1,3]benzothiazole 2-[(3S)-3-piperidyl]-4,5-dihydro…

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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 7.04 -43.45 2 2 1 29 277.438 1 ↓

Analogs

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Popular Name: 2-(4-piperidyl)-4,5-dihydrothieno[3,2-e][1,3]benzothiazole 2-(4-piperidyl)-4,5-dihydrothien…

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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 7.06 -44.34 2 2 1 29 277.438 1 ↓

Analogs

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Popular Name: 2-[[(2S)-pyrrolidin-2-yl]methyl]-4,5-dihydrothieno[3,2-e][1,3]benzothiazole 2-[[(2S)-pyrrolidin-2-yl]methyl]…

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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) 2.91 7.23 -39.1 2 2 1 29 277.438 2 ↓

Analogs

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Popular Name: 2-[[(2R)-pyrrolidin-2-yl]methyl]-4,5-dihydrothieno[3,2-e][1,3]benzothiazole 2-[[(2R)-pyrrolidin-2-yl]methyl]…

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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) 2.91 7.25 -34.48 2 2 1 29 277.438 2 ↓

Analogs

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Popular Name: 1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)-N-methyl-methanamine 1-(4,5-dihydrothieno[3,2-e][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) 2.12 5.44 -41.6 2 2 1 29 237.373 2 ↓
Hi High (pH 8-9.5) 2.12 3.99 -8.54 1 2 0 25 236.365 2 ↓

Analogs

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Popular Name: N-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-ylmethyl)ethanamine N-(4,5-dihydrothieno[3,2-e][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) 2.49 6.29 -40.6 2 2 1 29 251.4 3 ↓
Hi High (pH 8-9.5) 2.49 4.92 -8.32 1 2 0 25 250.392 3 ↓

Analogs

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Popular Name: N-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-ylmethyl)propan-1-amine N-(4,5-dihydrothieno[3,2-e][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) 3.00 7.05 -41.38 2 2 1 29 265.427 4 ↓
Hi High (pH 8-9.5) 3.00 5.69 -8.16 1 2 0 25 264.419 4 ↓

Analogs

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Popular Name: N-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-ylmethyl)cyclopropanamine N-(4,5-dihydrothieno[3,2-e][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) 2.48 7.01 -38.67 2 2 1 29 263.411 3 ↓
Hi High (pH 8-9.5) 2.48 5.72 -6.98 1 2 0 25 262.403 3 ↓

Analogs

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Popular Name: N-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-ylmethyl)propan-2-amine N-(4,5-dihydrothieno[3,2-e][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) 2.79 6.82 -39.03 2 2 1 29 265.427 3 ↓
Hi High (pH 8-9.5) 2.79 5.6 -8.27 1 2 0 25 264.419 3 ↓

Analogs

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Popular Name: N-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-ylmethyl)-2-methyl-propan-2-amine N-(4,5-dihydrothieno[3,2-e][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) 3.30 7.25 -36.69 2 2 1 29 279.454 3 ↓
Hi High (pH 8-9.5) 3.30 6 -7.99 1 2 0 25 278.446 3 ↓

Analogs

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Popular Name: N-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-ylmethyl)-2-methoxy-ethanamine N-(4,5-dihydrothieno[3,2-e][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) 2.10 5.43 -40.39 2 3 1 39 281.426 5 ↓
Mid Mid (pH 6-8) 2.10 4.08 -8.84 1 3 0 34 280.418 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)-N-methyl-ethanamine 2-(4,5-dihydrothieno[3,2-e][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) 2.52 6.19 -44.68 2 2 1 29 251.4 3 ↓

Analogs

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Popular Name: 3-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)propan-1-amine 3-(4,5-dihydrothieno[3,2-e][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) 1.81 5.1 -48.76 3 2 1 41 251.4 3 ↓

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