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Analogs

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

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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) 1.80 6.75 -45.01 3 3 1 44 280.461 2 ↓
Hi High (pH 8-9.5) 1.80 6.42 -6.86 2 3 0 42 279.453 2 ↓
Mid Mid (pH 6-8) 1.80 6.66 -20.67 3 3 1 43 280.461 2 ↓

Analogs

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

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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) 1.80 6.74 -45.11 3 3 1 44 280.461 2 ↓
Hi High (pH 8-9.5) 1.80 6.41 -6.8 2 3 0 42 279.453 2 ↓
Mid Mid (pH 6-8) 1.80 6.66 -20.66 3 3 1 43 280.461 2 ↓

Analogs

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

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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 5.87 -44.51 3 3 1 44 252.407 2 ↓
Hi High (pH 8-9.5) 0.91 5.55 -7.23 2 3 0 42 251.399 2 ↓
Mid Mid (pH 6-8) 0.91 6.12 -90.26 4 3 2 45 253.415 2 ↓

Analogs

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

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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 5.86 -44.58 3 3 1 44 252.407 2 ↓
Hi High (pH 8-9.5) 0.91 5.53 -7.18 2 3 0 42 251.399 2 ↓
Mid Mid (pH 6-8) 0.91 6.11 -90.28 4 3 2 45 253.415 2 ↓

Analogs

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Popular Name: (7R)-5,5-dimethyl-2-[(2R)-2-methylpyrrolidin-1-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) 1.26 6.11 -45.03 3 3 1 44 266.434 1 ↓
Hi High (pH 8-9.5) 1.26 5.78 -6.75 2 3 0 42 265.426 1 ↓
Mid Mid (pH 6-8) 1.26 6.32 -91.53 4 3 2 45 267.442 1 ↓

Analogs

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Popular Name: (7R)-5,5-dimethyl-2-[(2S)-2-methylpyrrolidin-1-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) 1.26 6.13 -44.97 3 3 1 44 266.434 1 ↓
Hi High (pH 8-9.5) 1.26 5.8 -6.65 2 3 0 42 265.426 1 ↓
Mid Mid (pH 6-8) 1.26 6.29 -91.58 4 3 2 45 267.442 1 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.38 5.23 -44.58 3 3 1 44 238.38 1 ↓
Hi High (pH 8-9.5) 0.38 4.91 -7.11 2 3 0 42 237.372 1 ↓
Mid Mid (pH 6-8) 0.38 5.44 -90.01 4 3 2 45 239.388 1 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.38 5.25 -44.55 3 3 1 44 238.38 1 ↓
Hi High (pH 8-9.5) 0.38 4.93 -7.1 2 3 0 42 237.372 1 ↓
Mid Mid (pH 6-8) 0.38 5.41 -89.96 4 3 2 45 239.388 1 ↓

Analogs

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Popular Name: (7R)-2-pyrrolidin-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-pyrrolidin-1-yl-4,5,6,7-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) 0.05 4.46 -44.99 3 3 1 44 224.353 1 ↓
Hi High (pH 8-9.5) 0.05 4.13 -7.25 2 3 0 42 223.345 1 ↓
Mid Mid (pH 6-8) 0.05 4.89 -90.54 4 3 2 45 225.361 1 ↓

Analogs

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Popular Name: (7S)-2-pyrrolidin-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-2-pyrrolidin-1-yl-4,5,6,7-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) 0.05 4.46 -45.02 3 3 1 44 224.353 1 ↓
Hi High (pH 8-9.5) 0.05 4.14 -6.01 2 3 0 42 223.345 1 ↓
Mid Mid (pH 6-8) 0.05 4.89 -90.54 4 3 2 45 225.361 1 ↓

Analogs

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Popular Name: (7R)-5,5-dimethyl-2-[(3R)-3-methylpyrrolidin-1-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) 1.41 5.94 -45.46 3 3 1 44 266.434 1 ↓
Hi High (pH 8-9.5) 1.41 5.62 -6.56 2 3 0 42 265.426 1 ↓
Mid Mid (pH 6-8) 1.41 6.38 -92.68 4 3 2 45 267.442 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-5,5-dimethyl-2-[(3S)-3-methylpyrrolidin-1-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) 1.41 5.94 -45.73 3 3 1 44 266.434 1 ↓
Hi High (pH 8-9.5) 1.41 5.61 -6.8 2 3 0 42 265.426 1 ↓
Mid Mid (pH 6-8) 1.41 6.41 -92.46 4 3 2 45 267.442 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.52 5.06 -44.97 3 3 1 44 238.38 1 ↓
Hi High (pH 8-9.5) 0.52 4.74 -6.97 2 3 0 42 237.372 1 ↓
Mid Mid (pH 6-8) 0.52 5.5 -91 4 3 2 45 239.388 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.52 5.06 -45.3 3 3 1 44 238.38 1 ↓
Hi High (pH 8-9.5) 0.52 4.74 -7.24 2 3 0 42 237.372 1 ↓
Mid Mid (pH 6-8) 0.52 5.53 -90.8 4 3 2 45 239.388 1 ↓

Analogs

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

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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) 4.05 8.57 -39.23 2 3 1 33 294.488 3 ↓
Hi High (pH 8-9.5) 4.05 7.09 -7.13 1 3 0 28 293.48 3 ↓
Mid Mid (pH 6-8) 4.05 8.75 -85.5 3 3 2 34 295.496 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 4.05 8.49 -39.34 2 3 1 33 294.488 3 ↓
Hi High (pH 8-9.5) 4.05 7.07 -7.12 1 3 0 28 293.48 3 ↓
Mid Mid (pH 6-8) 4.05 8.74 -85.53 3 3 2 34 295.496 3 ↓

Analogs

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

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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) 4.43 9.59 -84.65 3 3 2 34 309.523 4 ↓
Hi High (pH 8-9.5) 4.43 8.01 -6.93 1 3 0 28 307.507 4 ↓
Mid Mid (pH 6-8) 4.43 9.42 -37.61 2 3 1 33 308.515 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 4.43 9.59 -84.72 3 3 2 34 309.523 4 ↓
Hi High (pH 8-9.5) 4.43 8 -6.9 1 3 0 28 307.507 4 ↓
Mid Mid (pH 6-8) 4.43 9.34 -37.76 2 3 1 33 308.515 4 ↓

Analogs

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

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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) 3.16 7.68 -38.88 2 3 1 33 266.434 3 ↓
Hi High (pH 8-9.5) 3.16 6.2 -7.57 1 3 0 28 265.426 3 ↓
Mid Mid (pH 6-8) 3.16 7.86 -84.27 3 3 2 34 267.442 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.16 7.6 -38.95 2 3 1 33 266.434 3 ↓
Hi High (pH 8-9.5) 3.16 6.19 -7.52 1 3 0 28 265.426 3 ↓
Mid Mid (pH 6-8) 3.16 7.85 -84.24 3 3 2 34 267.442 3 ↓

Analogs

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Popular Name: (7R)-N-ethyl-2-[(2R)-2-ethylpyrrolidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-N-ethyl-2-[(2R)-2-ethylpyrr…

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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) 3.54 8.53 -37.42 2 3 1 33 280.461 4 ↓
Hi High (pH 8-9.5) 3.54 7.12 -7.37 1 3 0 28 279.453 4 ↓
Mid Mid (pH 6-8) 3.54 8.7 -83.61 3 3 2 34 281.469 4 ↓

Analogs

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Popular Name: (7R)-N-ethyl-2-[(2S)-2-ethylpyrrolidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-N-ethyl-2-[(2S)-2-ethylpyrr…

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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) 3.54 8.45 -37.46 2 3 1 33 280.461 4 ↓
Hi High (pH 8-9.5) 3.54 7.11 -7.3 1 3 0 28 279.453 4 ↓
Mid Mid (pH 6-8) 3.54 8.7 -83.66 3 3 2 34 281.469 4 ↓

Analogs

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

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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) 4.04 9.2 -37.98 2 3 1 33 294.488 5 ↓
Hi High (pH 8-9.5) 4.04 7.89 -5.7 1 3 0 28 293.48 5 ↓
Mid Mid (pH 6-8) 4.04 9.46 -85.25 3 3 2 34 295.496 5 ↓

Analogs

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Popular Name: (7S)-2-[(2S)-2-ethylpyrrolidin-1-yl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-2-[(2S)-2-ethylpyrrolidin-1…

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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) 4.04 9.22 -37.95 2 3 1 33 294.488 5 ↓
Hi High (pH 8-9.5) 4.04 7.9 -7.3 1 3 0 28 293.48 5 ↓
Mid Mid (pH 6-8) 4.04 9.47 -85.22 3 3 2 34 295.496 5 ↓

Analogs

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Popular Name: (7R)-N,5,5-trimethyl-2-[(2R)-2-methylpyrrolidin-1-yl]-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-N,5,5-trimethyl-2-[(2R)-2-m…

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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 7.87 -39.28 2 3 1 33 280.461 2 ↓
Hi High (pH 8-9.5) 3.52 6.45 -7 1 3 0 28 279.453 2 ↓
Mid Mid (pH 6-8) 3.52 8.07 -85.16 3 3 2 34 281.469 2 ↓

Analogs

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

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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 7.89 -39.22 2 3 1 33 280.461 2 ↓
Hi High (pH 8-9.5) 3.52 6.47 -6.98 1 3 0 28 279.453 2 ↓
Mid Mid (pH 6-8) 3.52 8.05 -85.24 3 3 2 34 281.469 2 ↓

Analogs

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

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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) 3.89 8.94 -84.44 3 3 2 34 295.496 3 ↓
Hi High (pH 8-9.5) 3.89 7.39 -5.29 1 3 0 28 293.48 3 ↓
Mid Mid (pH 6-8) 3.89 8.73 -37.69 2 3 1 33 294.488 3 ↓

Analogs

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

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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) 3.89 8.94 -84.42 3 3 2 34 295.496 3 ↓
Hi High (pH 8-9.5) 3.89 7.38 -6.79 1 3 0 28 293.48 3 ↓
Mid Mid (pH 6-8) 3.89 8.73 -37.75 2 3 1 33 294.488 3 ↓

Analogs

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Popular Name: (7R)-5,5-dimethyl-2-[(2S)-2-methylpyrrolidin-1-yl]-N-propyl-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) 4.39 9.7 -85.99 3 3 2 34 309.523 4 ↓
Hi High (pH 8-9.5) 4.39 8.15 -5.16 1 3 0 28 307.507 4 ↓
Mid Mid (pH 6-8) 4.39 9.49 -38.17 2 3 1 33 308.515 4 ↓

Analogs

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Popular Name: (7S)-5,5-dimethyl-2-[(2S)-2-methylpyrrolidin-1-yl]-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7S)-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) 4.39 9.7 -86.07 3 3 2 34 309.523 4 ↓
Hi High (pH 8-9.5) 4.39 8.15 -6.75 1 3 0 28 307.507 4 ↓
Mid Mid (pH 6-8) 4.39 9.49 -38.2 2 3 1 33 308.515 4 ↓

Analogs

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Popular Name: (7R)-N-methyl-2-[(2R)-2-methylpyrrolidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-N-methyl-2-[(2R)-2-methylpy…

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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) 2.63 6.98 -38.93 2 3 1 33 252.407 2 ↓
Hi High (pH 8-9.5) 2.63 5.56 -7.44 1 3 0 28 251.399 2 ↓
Mid Mid (pH 6-8) 2.63 7.18 -83.95 3 3 2 34 253.415 2 ↓

Analogs

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Popular Name: (7R)-N-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-N-methyl-2-[(2S)-2-methylpy…

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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) 2.63 7 -38.9 2 3 1 33 252.407 2 ↓
Hi High (pH 8-9.5) 2.63 5.58 -7.41 1 3 0 28 251.399 2 ↓
Mid Mid (pH 6-8) 2.63 7.16 -83.97 3 3 2 34 253.415 2 ↓

Analogs

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Popular Name: (7R)-N-ethyl-2-[(2S)-2-methylpyrrolidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-N-ethyl-2-[(2S)-2-methylpyr…

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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 7.84 -37.41 2 3 1 33 266.434 3 ↓
Hi High (pH 8-9.5) 3.00 6.5 -5.69 1 3 0 28 265.426 3 ↓
Mid Mid (pH 6-8) 3.00 8.05 -83.38 3 3 2 34 267.442 3 ↓

Analogs

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Popular Name: (7S)-N-ethyl-2-[(2S)-2-methylpyrrolidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-N-ethyl-2-[(2S)-2-methylpyr…

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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 7.84 -37.42 2 3 1 33 266.434 3 ↓
Hi High (pH 8-9.5) 3.00 6.49 -7.27 1 3 0 28 265.426 3 ↓
Mid Mid (pH 6-8) 3.00 8.05 -83.37 3 3 2 34 267.442 3 ↓

Analogs

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

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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) 3.51 8.6 -38.01 2 3 1 33 280.461 4 ↓
Hi High (pH 8-9.5) 3.51 7.26 -5.59 1 3 0 28 279.453 4 ↓
Mid Mid (pH 6-8) 3.51 8.81 -84.93 3 3 2 34 281.469 4 ↓

Analogs

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Popular Name: (7S)-2-[(2S)-2-methylpyrrolidin-1-yl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-2-[(2S)-2-methylpyrrolidin-…

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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) 3.51 8.6 -37.95 2 3 1 33 280.461 4 ↓
Hi High (pH 8-9.5) 3.51 7.26 -7.15 1 3 0 28 279.453 4 ↓
Mid Mid (pH 6-8) 3.51 8.81 -84.95 3 3 2 34 281.469 4 ↓

Analogs

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Popular Name: (7R)-N-methyl-2-pyrrolidin-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-N-methyl-2-pyrrolidin-1-yl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.30 6.2 -39.34 2 3 1 33 238.38 2 ↓
Hi High (pH 8-9.5) 2.30 4.79 -6.05 1 3 0 28 237.372 2 ↓
Mid Mid (pH 6-8) 2.30 6.63 -84.52 3 3 2 34 239.388 2 ↓

Analogs

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Popular Name: (7S)-N-methyl-2-pyrrolidin-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-N-methyl-2-pyrrolidin-1-yl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.30 6.2 -39.31 2 3 1 33 238.38 2 ↓
Hi High (pH 8-9.5) 2.30 4.79 -7.61 1 3 0 28 237.372 2 ↓
Mid Mid (pH 6-8) 2.30 6.63 -84.47 3 3 2 34 239.388 2 ↓

Analogs

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Popular Name: (7R)-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ami (7R)-2-[(3S)-3-(dimethylamino)py…

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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) 2.93 8.2 -84.82 3 4 2 37 310.511 3 ↓
Hi High (pH 8-9.5) 2.93 4.37 -6.83 1 4 0 31 308.495 3 ↓
Mid Mid (pH 6-8) 2.93 6.23 -87.95 3 4 2 37 310.511 3 ↓

Analogs

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Popular Name: (7R)-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ami (7R)-2-[(3R)-3-(dimethylamino)py…

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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) 2.93 8.2 -85.01 3 4 2 37 310.511 3 ↓
Hi High (pH 8-9.5) 2.93 4.39 -7.31 1 4 0 31 308.495 3 ↓
Mid Mid (pH 6-8) 2.93 6.27 -87.7 3 4 2 37 310.511 3 ↓

Analogs

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Popular Name: (7R)-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(3S)-3-(dimethylamino)py…

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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) 2.04 7.31 -84.43 3 4 2 37 282.457 3 ↓
Hi High (pH 8-9.5) 2.04 3.49 -5.77 1 4 0 31 280.441 3 ↓
Mid Mid (pH 6-8) 2.04 4.9 -40.1 2 4 1 36 281.449 3 ↓

Analogs

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Popular Name: (7S)-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-2-[(3S)-3-(dimethylamino)py…

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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) 2.04 7.31 -84.24 3 4 2 37 282.457 3 ↓
Hi High (pH 8-9.5) 2.04 3.49 -7.29 1 4 0 31 280.441 3 ↓
Mid Mid (pH 6-8) 2.04 4.9 -39.96 2 4 1 36 281.449 3 ↓

Analogs

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Popular Name: (7R)-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(3S)-3-(dimethylamino)py…

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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) 2.42 8.16 -83.17 3 4 2 37 296.484 4 ↓
Hi High (pH 8-9.5) 2.42 4.41 -5.52 1 4 0 31 294.468 4 ↓
Mid Mid (pH 6-8) 2.42 5.75 -38.58 2 4 1 36 295.476 4 ↓

Analogs

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Popular Name: (7S)-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-2-[(3S)-3-(dimethylamino)py…

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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) 2.42 8.16 -83.09 3 4 2 37 296.484 4 ↓
Hi High (pH 8-9.5) 2.42 4.41 -7.1 1 4 0 31 294.468 4 ↓
Mid Mid (pH 6-8) 2.42 5.75 -38.5 2 4 1 36 295.476 4 ↓

Analogs

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Popular Name: (7R)-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(3S)-3-(dimethylamino)py…

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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) 2.92 8.92 -84.05 3 4 2 37 310.511 5 ↓
Hi High (pH 8-9.5) 2.92 5.18 -5.37 1 4 0 31 308.495 5 ↓
Mid Mid (pH 6-8) 2.92 6.51 -39.21 2 4 1 36 309.503 5 ↓

Analogs

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Popular Name: (7S)-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-2-[(3S)-3-(dimethylamino)py…

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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) 2.92 8.92 -83.98 3 4 2 37 310.511 5 ↓
Hi High (pH 8-9.5) 2.92 5.17 -7 1 4 0 31 308.495 5 ↓
Mid Mid (pH 6-8) 2.92 6.51 -39.11 2 4 1 36 309.503 5 ↓

Analogs

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

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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 6.44 -90.26 4 4 2 48 296.484 2 ↓
Hi High (pH 8-9.5) 0.68 3.71 -6.54 2 4 0 45 294.468 2 ↓
Mid Mid (pH 6-8) 0.68 4.03 -46.34 3 4 1 47 295.476 2 ↓

Analogs

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

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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 6.45 -90.48 4 4 2 48 296.484 2 ↓
Hi High (pH 8-9.5) 0.68 3.73 -7.07 2 4 0 45 294.468 2 ↓
Mid Mid (pH 6-8) 0.68 4.05 -46.56 3 4 1 47 295.476 2 ↓

Analogs

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

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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) -0.21 5.55 -89.49 4 4 2 48 268.43 2 ↓
Hi High (pH 8-9.5) -0.21 2.83 -6.94 2 4 0 45 266.414 2 ↓
Mid Mid (pH 6-8) -0.21 3.16 -45.68 3 4 1 47 267.422 2 ↓

Analogs

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

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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) -0.21 5.56 -89.37 4 4 2 48 268.43 2 ↓
Hi High (pH 8-9.5) -0.21 2.84 -7.3 2 4 0 45 266.414 2 ↓
Mid Mid (pH 6-8) -0.21 3.17 -46.13 3 4 1 47 267.422 2 ↓

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