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Analogs

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Popular Name: (7R)-2-morpholino-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-morpholino-4,5,6,7-tetrah…

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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) -0.51 2.79 -46.36 3 4 1 53 240.352 1 ↓
Hi High (pH 8-9.5) -0.51 2.47 -6.84 2 4 0 51 239.344 1 ↓
Mid Mid (pH 6-8) -0.51 3.2 -95.38 4 4 2 54 241.36 1 ↓

Analogs

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Popular Name: (7S)-2-morpholino-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-2-morpholino-4,5,6,7-tetrah…

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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) -0.51 2.79 -46.28 3 4 1 53 240.352 1 ↓
Hi High (pH 8-9.5) -0.51 2.47 -5.73 2 4 0 51 239.344 1 ↓
Mid Mid (pH 6-8) -0.51 3.2 -95.4 4 4 2 54 241.36 1 ↓

Analogs

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Popular Name: (7R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-2-[(2S,6R)-2,6-dimethylmorp…

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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) 1.10 5.18 -46.87 3 4 1 53 296.46 1 ↓
Hi High (pH 8-9.5) 1.10 4.85 -6.03 2 4 0 51 295.452 1 ↓
Mid Mid (pH 6-8) 1.10 5.25 -23.95 3 4 1 53 296.46 1 ↓

Analogs

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Popular Name: (7R)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-2-[(2S,6S)-2,6-dimethylmorp…

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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) 1.10 5.29 -46.24 3 4 1 53 296.46 1 ↓
Hi High (pH 8-9.5) 1.10 4.97 -5.72 2 4 0 51 295.452 1 ↓
Mid Mid (pH 6-8) 1.10 5.37 -23.98 3 4 1 53 296.46 1 ↓

Analogs

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Popular Name: (7R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-2-[(2R,6R)-2,6-dimethylmorp…

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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) 1.10 5.29 -46.72 3 4 1 53 296.46 1 ↓
Hi High (pH 8-9.5) 1.10 4.97 -5.98 2 4 0 51 295.452 1 ↓
Mid Mid (pH 6-8) 1.10 5.37 -24.01 3 4 1 53 296.46 1 ↓

Analogs

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Popular Name: (7R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(2S,6R)-2,6-dimethylmorp…

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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 4.3 -46.39 3 4 1 53 268.406 1 ↓
Hi High (pH 8-9.5) 0.22 3.97 -6.45 2 4 0 51 267.398 1 ↓
Mid Mid (pH 6-8) 0.22 4.7 -96.56 4 4 2 54 269.414 1 ↓

Analogs

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Popular Name: (7R)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(2S,6S)-2,6-dimethylmorp…

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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 4.41 -45.77 3 4 1 53 268.406 1 ↓
Hi High (pH 8-9.5) 0.22 4.09 -6.05 2 4 0 51 267.398 1 ↓
Mid Mid (pH 6-8) 0.22 4.81 -96.42 4 4 2 54 269.414 1 ↓

Analogs

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Popular Name: (7R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(2R,6R)-2,6-dimethylmorp…

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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 4.41 -46.2 3 4 1 53 268.406 1 ↓
Hi High (pH 8-9.5) 0.22 4.09 -6.37 2 4 0 51 267.398 1 ↓
Mid Mid (pH 6-8) 0.22 4.82 -96.33 4 4 2 54 269.414 1 ↓

Analogs

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Popular Name: (7R)-5,5-dimethyl-2-[(2R)-2-methylmorpholin-4-yl]-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-5,5-dimethyl-2-[(2R)-2-meth…

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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) 0.74 4.42 -46.86 3 4 1 53 282.433 1 ↓
Hi High (pH 8-9.5) 0.74 4.1 -6.29 2 4 0 51 281.425 1 ↓
Mid Mid (pH 6-8) 0.74 4.5 -24.02 3 4 1 53 282.433 1 ↓

Analogs

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Popular Name: (7R)-5,5-dimethyl-2-[(2S)-2-methylmorpholin-4-yl]-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-5,5-dimethyl-2-[(2S)-2-meth…

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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) 0.74 4.42 -46.81 3 4 1 53 282.433 1 ↓
Hi High (pH 8-9.5) 0.74 4.1 -6.32 2 4 0 51 281.425 1 ↓
Mid Mid (pH 6-8) 0.74 4.5 -24.04 3 4 1 53 282.433 1 ↓

Analogs

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Popular Name: (7R)-2-[(2R)-2-methylmorpholin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(2R)-2-methylmorpholin-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 3.54 -46.43 3 4 1 53 254.379 1 ↓
Hi High (pH 8-9.5) -0.15 3.22 -6.69 2 4 0 51 253.371 1 ↓
Mid Mid (pH 6-8) -0.15 3.95 -95.97 4 4 2 54 255.387 1 ↓

Analogs

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Popular Name: (7R)-2-[(2S)-2-methylmorpholin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(2S)-2-methylmorpholin-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 3.54 -46.32 3 4 1 53 254.379 1 ↓
Hi High (pH 8-9.5) -0.15 3.22 -6.65 2 4 0 51 253.371 1 ↓
Mid Mid (pH 6-8) -0.15 3.95 -96.01 4 4 2 54 255.387 1 ↓

Analogs

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Popular Name: (7R)-2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-2-[(2R,5R)-2,5-dimethylmorp…

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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 5.16 -46.22 3 4 1 53 296.46 1 ↓
Hi High (pH 8-9.5) 1.07 4.83 -6.04 2 4 0 51 295.452 1 ↓
Mid Mid (pH 6-8) 1.07 5.24 -23.28 3 4 1 53 296.46 1 ↓

Analogs

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Popular Name: (7R)-2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-2-[(2S,5R)-2,5-dimethylmorp…

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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 5.57 -45.49 3 4 1 53 296.46 1 ↓
Hi High (pH 8-9.5) 1.07 5.24 -5.3 2 4 0 51 295.452 1 ↓
Mid Mid (pH 6-8) 1.07 4.67 -23.02 3 4 1 53 296.46 1 ↓

Analogs

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Popular Name: (7R)-2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(2R,5R)-2,5-dimethylmorp…

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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 4.28 -45.78 3 4 1 53 268.406 1 ↓
Hi High (pH 8-9.5) 0.18 3.96 -6.4 2 4 0 51 267.398 1 ↓
Mid Mid (pH 6-8) 0.18 4.69 -95.65 4 4 2 54 269.414 1 ↓

Analogs

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Popular Name: (7R)-2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(2S,5R)-2,5-dimethylmorp…

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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 4.69 -44.99 3 4 1 53 268.406 1 ↓
Hi High (pH 8-9.5) 0.18 4.37 -5.74 2 4 0 51 267.398 1 ↓
Mid Mid (pH 6-8) 0.18 4.13 -98.38 4 4 2 54 269.414 1 ↓

Analogs

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Popular Name: (7R)-5,5-dimethyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-5,5-dimethyl-2-[(3R)-3-meth…

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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 4.82 -45.47 3 4 1 53 282.433 1 ↓
Hi High (pH 8-9.5) 0.71 4.5 -5.54 2 4 0 51 281.425 1 ↓
Mid Mid (pH 6-8) 0.71 3.94 -23.1 3 4 1 53 282.433 1 ↓

Analogs

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Popular Name: (7R)-5,5-dimethyl-2-[(3S)-3-methylmorpholin-4-yl]-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-5,5-dimethyl-2-[(3S)-3-meth…

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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 4.81 -45.37 3 4 1 53 282.433 1 ↓
Hi High (pH 8-9.5) 0.71 4.49 -5.54 2 4 0 51 281.425 1 ↓
Mid Mid (pH 6-8) 0.71 3.92 -23.08 3 4 1 53 282.433 1 ↓

Analogs

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Popular Name: (7R)-2-[(3R)-3-methylmorpholin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(3R)-3-methylmorpholin-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) -0.18 3.95 -45.02 3 4 1 53 254.379 1 ↓
Hi High (pH 8-9.5) -0.18 3.62 -5.94 2 4 0 51 253.371 1 ↓
Mid Mid (pH 6-8) -0.18 3.39 -97.73 4 4 2 54 255.387 1 ↓

Analogs

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Popular Name: (7R)-2-[(3S)-3-methylmorpholin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(3S)-3-methylmorpholin-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) -0.18 3.94 -44.89 3 4 1 53 254.379 1 ↓
Hi High (pH 8-9.5) -0.18 3.61 -5.99 2 4 0 51 253.371 1 ↓
Mid Mid (pH 6-8) -0.18 3.38 -97.81 4 4 2 54 255.387 1 ↓

Analogs

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Popular Name: (7R)-2-[(2R)-2-ethylmorpholin-4-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-2-[(2R)-2-ethylmorpholin-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) 1.24 5.26 -46.61 3 4 1 53 296.46 2 ↓
Hi High (pH 8-9.5) 1.24 4.93 -6.15 2 4 0 51 295.452 2 ↓
Mid Mid (pH 6-8) 1.24 5.66 -98.16 4 4 2 54 297.468 2 ↓

Analogs

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Popular Name: (7R)-2-[(2S)-2-ethylmorpholin-4-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-2-[(2S)-2-ethylmorpholin-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) 1.24 5.26 -46.62 3 4 1 53 296.46 2 ↓
Hi High (pH 8-9.5) 1.24 4.93 -6.15 2 4 0 51 295.452 2 ↓
Mid Mid (pH 6-8) 1.24 5.33 -24.14 3 4 1 53 296.46 2 ↓

Analogs

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Popular Name: (7R)-2-[(2R)-2-ethylmorpholin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(2R)-2-ethylmorpholin-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) 0.36 4.38 -46.21 3 4 1 53 268.406 2 ↓
Hi High (pH 8-9.5) 0.36 4.05 -6.52 2 4 0 51 267.398 2 ↓
Mid Mid (pH 6-8) 0.36 4.78 -96.45 4 4 2 54 269.414 2 ↓

Analogs

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Popular Name: (7R)-2-[(2S)-2-ethylmorpholin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(2S)-2-ethylmorpholin-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) 0.36 4.38 -46.13 3 4 1 53 268.406 2 ↓
Hi High (pH 8-9.5) 0.36 4.05 -6.5 2 4 0 51 267.398 2 ↓
Mid Mid (pH 6-8) 0.36 4.78 -96.46 4 4 2 54 269.414 2 ↓

Analogs

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Popular Name: (7R)-2-(2,2-dimethylmorpholin-4-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-2-(2,2-dimethylmorpholin-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) 1.19 5.19 -46.23 3 4 1 53 296.46 1 ↓
Hi High (pH 8-9.5) 1.19 4.86 -5.83 2 4 0 51 295.452 1 ↓
Mid Mid (pH 6-8) 1.19 5.27 -24 3 4 1 53 296.46 1 ↓

Analogs

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Popular Name: (7S)-2-(2,2-dimethylmorpholin-4-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7S)-2-(2,2-dimethylmorpholin-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) 1.19 5.19 -46.37 3 4 1 53 296.46 1 ↓
Hi High (pH 8-9.5) 1.19 4.87 -4.72 2 4 0 51 295.452 1 ↓
Mid Mid (pH 6-8) 1.19 5.27 -24.91 3 4 1 53 296.46 1 ↓

Analogs

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Popular Name: (7R)-2-(2,2-dimethylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-(2,2-dimethylmorpholin-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) 0.30 4.31 -45.75 3 4 1 53 268.406 1 ↓
Hi High (pH 8-9.5) 0.30 3.98 -6.24 2 4 0 51 267.398 1 ↓
Mid Mid (pH 6-8) 0.30 4.7 -96.62 4 4 2 54 269.414 1 ↓

Analogs

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Popular Name: (7S)-2-(2,2-dimethylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-2-(2,2-dimethylmorpholin-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) 0.30 4.31 -45.85 3 4 1 53 268.406 1 ↓
Hi High (pH 8-9.5) 0.30 3.99 -5.16 2 4 0 51 267.398 1 ↓
Mid Mid (pH 6-8) 0.30 4.7 -96.44 4 4 2 54 269.414 1 ↓

Analogs

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Popular Name: (7R)-2-[(3R)-3-ethylmorpholin-4-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-2-[(3R)-3-ethylmorpholin-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) 1.24 5.44 -45.44 3 4 1 53 296.46 2 ↓
Hi High (pH 8-9.5) 1.24 5.1 -5.42 2 4 0 51 295.452 2 ↓
Mid Mid (pH 6-8) 1.24 4.27 -23.34 3 4 1 53 296.46 2 ↓

Analogs

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Popular Name: (7R)-2-[(3S)-3-ethylmorpholin-4-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-2-[(3S)-3-ethylmorpholin-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) 1.24 5.4 -45.38 3 4 1 53 296.46 2 ↓
Hi High (pH 8-9.5) 1.24 5.08 -5.4 2 4 0 51 295.452 2 ↓
Mid Mid (pH 6-8) 1.24 4.26 -23.35 3 4 1 53 296.46 2 ↓

Analogs

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Popular Name: (7R)-2-[(3R)-3-ethylmorpholin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(3R)-3-ethylmorpholin-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) 0.36 4.56 -44.96 3 4 1 53 268.406 2 ↓
Hi High (pH 8-9.5) 0.36 4.23 -5.81 2 4 0 51 267.398 2 ↓
Mid Mid (pH 6-8) 0.36 3.73 -94.56 4 4 2 54 269.414 2 ↓

Analogs

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Popular Name: (7R)-2-[(3S)-3-ethylmorpholin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(3S)-3-ethylmorpholin-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) 0.36 4.52 -44.9 3 4 1 53 268.406 2 ↓
Hi High (pH 8-9.5) 0.36 4.2 -5.88 2 4 0 51 267.398 2 ↓
Mid Mid (pH 6-8) 0.36 3.72 -94.64 4 4 2 54 269.414 2 ↓

Analogs

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Popular Name: (7R)-5,5-dimethyl-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-5,5-dimethyl-2-[(6R)-2,2,6-…

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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 5.92 -46.15 3 4 1 53 310.487 1 ↓
Hi High (pH 8-9.5) 1.55 5.59 -5.62 2 4 0 51 309.479 1 ↓
Mid Mid (pH 6-8) 1.55 5.98 -23.97 3 4 1 53 310.487 1 ↓

Analogs

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Popular Name: (7R)-5,5-dimethyl-2-[(6S)-2,2,6-trimethylmorpholin-4-yl]-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-5,5-dimethyl-2-[(6S)-2,2,6-…

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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 5.92 -46.35 3 4 1 53 310.487 1 ↓
Hi High (pH 8-9.5) 1.55 5.59 -5.59 2 4 0 51 309.479 1 ↓
Mid Mid (pH 6-8) 1.55 6.31 -98.78 4 4 2 54 311.495 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(6R)-2,2,6-trimethylmorp…

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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) 0.66 5.04 -45.74 3 4 1 53 282.433 1 ↓
Hi High (pH 8-9.5) 0.66 4.71 -6.02 2 4 0 51 281.425 1 ↓
Mid Mid (pH 6-8) 0.66 5.43 -97.23 4 4 2 54 283.441 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(6S)-2,2,6-trimethylmorpholin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(6S)-2,2,6-trimethylmorp…

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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) 0.66 5.04 -45.81 3 4 1 53 282.433 1 ↓
Hi High (pH 8-9.5) 0.66 4.71 -5.93 2 4 0 51 281.425 1 ↓
Mid Mid (pH 6-8) 0.66 5.43 -97.08 4 4 2 54 283.441 1 ↓

Analogs

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Popular Name: (7R)-2-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amin (7R)-2-[(2R,5R)-5-ethyl-2-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) 1.61 6.05 -45.51 3 4 1 53 310.487 2 ↓
Hi High (pH 8-9.5) 1.61 5.73 -5.6 2 4 0 51 309.479 2 ↓
Mid Mid (pH 6-8) 1.61 6.13 -23.13 3 4 1 53 310.487 2 ↓

Analogs

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Popular Name: (7R)-2-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amin (7R)-2-[(2R,5S)-5-ethyl-2-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) 1.61 6.15 -45.39 3 4 1 53 310.487 2 ↓
Hi High (pH 8-9.5) 1.61 5.82 -5.19 2 4 0 51 309.479 2 ↓
Mid Mid (pH 6-8) 1.61 5.01 -23.24 3 4 1 53 310.487 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amin (7R)-2-[(2S,5R)-5-ethyl-2-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) 1.61 6.19 -45.44 3 4 1 53 310.487 2 ↓
Hi High (pH 8-9.5) 1.61 5.85 -5.18 2 4 0 51 309.479 2 ↓
Mid Mid (pH 6-8) 1.61 5.02 -23.27 3 4 1 53 310.487 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amin (7R)-2-[(2S,5S)-5-ethyl-2-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) 1.61 6.05 -45.64 3 4 1 53 310.487 2 ↓
Hi High (pH 8-9.5) 1.61 5.73 -5.48 2 4 0 51 309.479 2 ↓
Mid Mid (pH 6-8) 1.61 6.12 -23.19 3 4 1 53 310.487 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(2R,5R)-5-ethyl-2-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) 0.72 5.17 -44.99 3 4 1 53 282.433 2 ↓
Hi High (pH 8-9.5) 0.72 4.85 -6.03 2 4 0 51 281.425 2 ↓
Mid Mid (pH 6-8) 0.72 5.58 -95.77 4 4 2 54 283.441 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(2R,5S)-5-ethyl-2-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) 0.72 5.27 -44.88 3 4 1 53 282.433 2 ↓
Hi High (pH 8-9.5) 0.72 4.94 -5.59 2 4 0 51 281.425 2 ↓
Mid Mid (pH 6-8) 0.72 4.47 -95.17 4 4 2 54 283.441 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(2S,5R)-5-ethyl-2-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) 0.72 5.31 -44.94 3 4 1 53 282.433 2 ↓
Hi High (pH 8-9.5) 0.72 4.97 -5.63 2 4 0 51 281.425 2 ↓
Mid Mid (pH 6-8) 0.72 4.47 -95.1 4 4 2 54 283.441 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(2S,5S)-5-ethyl-2-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) 0.72 5.17 -45.13 3 4 1 53 282.433 2 ↓
Hi High (pH 8-9.5) 0.72 4.85 -5.89 2 4 0 51 281.425 2 ↓
Mid Mid (pH 6-8) 0.72 5.57 -95.79 4 4 2 54 283.441 2 ↓

Analogs

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Popular Name: (7R)-2-(3,3-dimethylmorpholin-4-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-2-(3,3-dimethylmorpholin-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) 1.19 5.47 -44.92 3 4 1 53 296.46 1 ↓
Hi High (pH 8-9.5) 1.19 5.14 -5.37 2 4 0 51 295.452 1 ↓
Mid Mid (pH 6-8) 1.19 4.59 -22.75 3 4 1 53 296.46 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-(3,3-dimethylmorpholin-4-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7S)-2-(3,3-dimethylmorpholin-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) 1.19 5.47 -45.05 3 4 1 53 296.46 1 ↓
Hi High (pH 8-9.5) 1.19 5.15 -4.31 2 4 0 51 295.452 1 ↓
Mid Mid (pH 6-8) 1.19 4.6 -23.72 3 4 1 53 296.46 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-(3,3-dimethylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-(3,3-dimethylmorpholin-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) 0.30 4.58 -44.55 3 4 1 53 268.406 1 ↓
Hi High (pH 8-9.5) 0.30 4.25 -5.82 2 4 0 51 267.398 1 ↓
Mid Mid (pH 6-8) 0.30 4.03 -98.03 4 4 2 54 269.414 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-(3,3-dimethylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-2-(3,3-dimethylmorpholin-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) 0.30 4.58 -44.54 3 4 1 53 268.406 1 ↓
Hi High (pH 8-9.5) 0.30 4.26 -4.74 2 4 0 51 267.398 1 ↓
Mid Mid (pH 6-8) 0.30 4.03 -98.09 4 4 2 54 269.414 1 ↓

Analogs

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Popular Name: (7R)-N-ethyl-5,5-dimethyl-2-morpholino-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-N-ethyl-5,5-dimethyl-2-morp…

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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) 3.01 6.68 -89.92 3 4 2 43 297.468 3 ↓
Hi High (pH 8-9.5) 3.01 4.94 -4.98 1 4 0 37 295.452 3 ↓
Mid Mid (pH 6-8) 3.01 6.28 -39.46 2 4 1 42 296.46 3 ↓

Analogs

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Popular Name: (7S)-N-ethyl-5,5-dimethyl-2-morpholino-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7S)-N-ethyl-5,5-dimethyl-2-morp…

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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) 3.01 6.68 -89.98 3 4 2 43 297.468 3 ↓
Hi High (pH 8-9.5) 3.01 4.94 -6.46 1 4 0 37 295.452 3 ↓
Mid Mid (pH 6-8) 3.01 6.28 -39.36 2 4 1 42 296.46 3 ↓

Parameters Provided:

ring.id = 157637
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 157637 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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