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Analogs

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Popular Name: (7R)-2-(4-propylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-(4-propylpiperazin-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) 0.41 6.47 -92.59 4 4 2 48 282.457 3 ↓
Hi High (pH 8-9.5) 0.41 3.93 -5.93 2 4 0 45 280.441 3 ↓
Mid Mid (pH 6-8) 0.41 4.26 -44.77 3 4 1 47 281.449 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-(4-propylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-2-(4-propylpiperazin-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) 0.41 6.47 -93.28 4 4 2 48 282.457 3 ↓
Hi High (pH 8-9.5) 0.41 3.94 -4.77 2 4 0 45 280.441 3 ↓
Mid Mid (pH 6-8) 0.41 4.26 -44.77 3 4 1 47 281.449 3 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.80 6.6 -93.19 4 4 2 48 296.484 2 ↓
Hi High (pH 8-9.5) 0.80 4.06 -5.64 2 4 0 45 294.468 2 ↓
Mid Mid (pH 6-8) 0.80 4.39 -45.39 3 4 1 47 295.476 2 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.80 6.61 -92.4 4 4 2 48 296.484 2 ↓
Hi High (pH 8-9.5) 0.80 4.07 -4.47 2 4 0 45 294.468 2 ↓
Mid Mid (pH 6-8) 0.80 4.77 -95.26 4 4 2 48 296.484 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-(4-ethylpiperazin-1-yl)-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) -0.09 5.73 -92.23 4 4 2 48 268.43 2 ↓
Hi High (pH 8-9.5) -0.09 3.18 -6.08 2 4 0 45 266.414 2 ↓
Mid Mid (pH 6-8) -0.09 3.51 -44.89 3 4 1 47 267.422 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-2-(4-ethylpiperazin-1-yl)-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) -0.09 5.73 -91.54 4 4 2 48 268.43 2 ↓
Hi High (pH 8-9.5) -0.09 3.18 -4.97 2 4 0 45 266.414 2 ↓
Mid Mid (pH 6-8) -0.09 3.51 -44.9 3 4 1 47 267.422 2 ↓

Analogs

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

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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 5.93 -93.8 4 4 2 48 282.457 1 ↓
Hi High (pH 8-9.5) 0.42 3.25 -5.85 2 4 0 45 280.441 1 ↓
Mid Mid (pH 6-8) 0.42 3.96 -95.3 4 4 2 48 282.457 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-5,5-dimethyl-2-(4-methylpiperazin-1-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7S)-5,5-dimethyl-2-(4-methylpip…

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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 5.93 -93.09 4 4 2 48 282.457 1 ↓
Hi High (pH 8-9.5) 0.42 3.25 -4.69 2 4 0 45 280.441 1 ↓
Mid Mid (pH 6-8) 0.42 3.96 -95.24 4 4 2 48 282.457 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-(4-methylpiperazin-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) -0.47 5.07 -92.27 4 4 2 48 254.403 1 ↓
Hi High (pH 8-9.5) -0.47 2.39 -6.24 2 4 0 45 252.387 1 ↓
Mid Mid (pH 6-8) -0.47 2.72 -45.1 3 4 1 47 253.395 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-2-(4-methylpiperazin-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) -0.47 5.07 -92.2 4 4 2 48 254.403 1 ↓
Hi High (pH 8-9.5) -0.47 2.4 -5.12 2 4 0 45 252.387 1 ↓
Mid Mid (pH 6-8) -0.47 2.72 -45.07 3 4 1 47 253.395 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 7.11 -91.62 4 4 2 48 310.511 2 ↓
Hi High (pH 8-9.5) 1.10 4.63 -5.51 2 4 0 45 308.495 2 ↓
Mid Mid (pH 6-8) 1.10 4.96 -45.14 3 4 1 47 309.503 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-(4-isopropylpiperazin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7S)-2-(4-isopropylpiperazin-1-y…

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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 7.11 -90.81 4 4 2 48 310.511 2 ↓
Hi High (pH 8-9.5) 1.10 4.64 -4.34 2 4 0 45 308.495 2 ↓
Mid Mid (pH 6-8) 1.10 5.35 -95.39 4 4 2 48 310.511 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 6.23 -90.66 4 4 2 48 282.457 2 ↓
Hi High (pH 8-9.5) 0.21 3.76 -5.97 2 4 0 45 280.441 2 ↓
Mid Mid (pH 6-8) 0.21 4.08 -44.71 3 4 1 47 281.449 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 6.23 -89.97 4 4 2 48 282.457 2 ↓
Hi High (pH 8-9.5) 0.21 3.76 -4.78 2 4 0 45 280.441 2 ↓
Mid Mid (pH 6-8) 0.21 4.08 -44.69 3 4 1 47 281.449 2 ↓

Analogs

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Popular Name: (7R)-2-(4-tert-butylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-(4-tert-butylpiperazin-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) 0.72 6.43 -89.13 4 4 2 48 296.484 2 ↓
Hi High (pH 8-9.5) 0.72 4.05 -5.76 2 4 0 45 294.468 2 ↓
Mid Mid (pH 6-8) 0.72 4.37 -44.44 3 4 1 47 295.476 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-(4-tert-butylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-2-(4-tert-butylpiperazin-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) 0.72 6.43 -89.06 4 4 2 48 296.484 2 ↓
Hi High (pH 8-9.5) 0.72 4.06 -4.64 2 4 0 45 294.468 2 ↓
Mid Mid (pH 6-8) 0.72 4.38 -44.45 3 4 1 47 295.476 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.05 8.36 -86.88 3 4 2 37 310.511 3 ↓
Hi High (pH 8-9.5) 3.05 4.73 -5.88 1 4 0 31 308.495 3 ↓
Mid Mid (pH 6-8) 3.05 6.54 -88.9 3 4 2 37 310.511 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.05 8.36 -86.8 3 4 2 37 310.511 3 ↓
Hi High (pH 8-9.5) 3.05 4.73 -4.46 1 4 0 31 308.495 3 ↓
Mid Mid (pH 6-8) 3.05 8.76 -167.8 4 4 3 38 311.519 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.16 7.48 -86.86 3 4 2 37 282.457 3 ↓
Hi High (pH 8-9.5) 2.16 3.83 -6.34 1 4 0 31 280.441 3 ↓
Mid Mid (pH 6-8) 2.16 5.26 -39.26 2 4 1 36 281.449 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.16 7.47 -86.16 3 4 2 37 282.457 3 ↓
Hi High (pH 8-9.5) 2.16 3.83 -4.89 1 4 0 31 280.441 3 ↓
Mid Mid (pH 6-8) 2.16 5.26 -39.25 2 4 1 36 281.449 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.54 8.32 -84.98 3 4 2 37 296.484 4 ↓
Hi High (pH 8-9.5) 2.54 4.77 -4.69 1 4 0 31 294.468 4 ↓
Mid Mid (pH 6-8) 2.54 6.5 -86.95 3 4 2 37 296.484 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.54 8.31 -85.02 3 4 2 37 296.484 4 ↓
Hi High (pH 8-9.5) 2.54 4.75 -6.15 1 4 0 31 294.468 4 ↓
Mid Mid (pH 6-8) 2.54 6.49 -86.96 3 4 2 37 296.484 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.04 9.07 -86.6 3 4 2 37 310.511 5 ↓
Hi High (pH 8-9.5) 3.04 5.52 -4.6 1 4 0 31 308.495 5 ↓
Mid Mid (pH 6-8) 3.04 7.25 -88.66 3 4 2 37 310.511 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.04 9.08 -86.62 3 4 2 37 310.511 5 ↓
Hi High (pH 8-9.5) 3.04 5.53 -6.08 1 4 0 31 308.495 5 ↓
Mid Mid (pH 6-8) 3.04 7.26 -88.67 3 4 2 37 310.511 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N,5,5-trimethyl-2-(4-methylpiperazin-1-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-N,5,5-trimethyl-2-(4-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) 2.68 7.68 -88.29 3 4 2 37 296.484 2 ↓
Hi High (pH 8-9.5) 2.68 3.91 -6.11 1 4 0 31 294.468 2 ↓
Mid Mid (pH 6-8) 2.68 5.72 -88.94 3 4 2 37 296.484 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N,5,5-trimethyl-2-(4-methylpiperazin-1-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7S)-N,5,5-trimethyl-2-(4-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) 2.68 7.68 -87.53 3 4 2 37 296.484 2 ↓
Hi High (pH 8-9.5) 2.68 3.91 -4.64 1 4 0 31 294.468 2 ↓
Mid Mid (pH 6-8) 2.68 8.08 -167.53 4 4 3 38 297.492 2 ↓

Analogs

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Popular Name: (7R)-N-ethyl-5,5-dimethyl-2-(4-methylpiperazin-1-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-N-ethyl-5,5-dimethyl-2-(4-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) 3.05 8.54 -86.93 3 4 2 37 310.511 3 ↓
Hi High (pH 8-9.5) 3.05 4.84 -4.45 1 4 0 31 308.495 3 ↓
Mid Mid (pH 6-8) 3.05 6.57 -88.08 3 4 2 37 310.511 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N-ethyl-5,5-dimethyl-2-(4-methylpiperazin-1-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7S)-N-ethyl-5,5-dimethyl-2-(4-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) 3.05 8.54 -86.35 3 4 2 37 310.511 3 ↓
Hi High (pH 8-9.5) 3.05 4.84 -5.94 1 4 0 31 308.495 3 ↓
Mid Mid (pH 6-8) 3.05 6.18 -38.19 2 4 1 36 309.503 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.79 6.8 -87.52 3 4 2 37 268.43 2 ↓
Hi High (pH 8-9.5) 1.79 3.03 -5.02 1 4 0 31 266.414 2 ↓
Mid Mid (pH 6-8) 1.79 4.44 -39.37 2 4 1 36 267.422 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.79 6.79 -86.85 3 4 2 37 268.43 2 ↓
Hi High (pH 8-9.5) 1.79 3.03 -6.54 1 4 0 31 266.414 2 ↓
Mid Mid (pH 6-8) 1.79 4.44 -39.39 2 4 1 36 267.422 2 ↓

Analogs

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

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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) 2.16 7.65 -86.2 3 4 2 37 282.457 3 ↓
Hi High (pH 8-9.5) 2.16 3.95 -4.88 1 4 0 31 280.441 3 ↓
Mid Mid (pH 6-8) 2.16 8.04 -164.17 4 4 3 38 283.465 3 ↓

Analogs

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

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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) 2.16 7.65 -85.72 3 4 2 37 282.457 3 ↓
Hi High (pH 8-9.5) 2.16 3.95 -6.3 1 4 0 31 280.441 3 ↓
Mid Mid (pH 6-8) 2.16 5.68 -86.85 3 4 2 37 282.457 3 ↓

Analogs

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Popular Name: (7R)-2-(4-methylpiperazin-1-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-(4-methylpiperazin-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) 2.67 8.41 -87.27 3 4 2 37 296.484 4 ↓
Hi High (pH 8-9.5) 2.67 4.72 -4.76 1 4 0 31 294.468 4 ↓
Mid Mid (pH 6-8) 2.67 6.44 -88.54 3 4 2 37 296.484 4 ↓

Analogs

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Popular Name: (7S)-2-(4-methylpiperazin-1-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-2-(4-methylpiperazin-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) 2.67 8.41 -86.77 3 4 2 37 296.484 4 ↓
Hi High (pH 8-9.5) 2.67 4.71 -6.22 1 4 0 31 294.468 4 ↓
Mid Mid (pH 6-8) 2.67 6.44 -88.5 3 4 2 37 296.484 4 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.46 7.97 -85.3 3 4 2 37 296.484 3 ↓
Hi High (pH 8-9.5) 2.46 4.41 -6.24 1 4 0 31 294.468 3 ↓
Mid Mid (pH 6-8) 2.46 5.83 -39.06 2 4 1 36 295.476 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.46 7.98 -84.59 3 4 2 37 296.484 3 ↓
Hi High (pH 8-9.5) 2.46 4.41 -4.74 1 4 0 31 294.468 3 ↓
Mid Mid (pH 6-8) 2.46 5.83 -39.03 2 4 1 36 295.476 3 ↓

Analogs

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

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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) 2.84 8.83 -83.5 3 4 2 37 310.511 4 ↓
Hi High (pH 8-9.5) 2.84 5.13 -4.44 1 4 0 31 308.495 4 ↓
Mid Mid (pH 6-8) 2.84 6.86 -86.91 3 4 2 37 310.511 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.84 8.81 -83.45 3 4 2 37 310.511 4 ↓
Hi High (pH 8-9.5) 2.84 5.32 -6.02 1 4 0 31 308.495 4 ↓
Mid Mid (pH 6-8) 2.84 7.06 -87.1 3 4 2 37 310.511 4 ↓

Analogs

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Popular Name: (7R)-2-(4-tert-butylpiperazin-1-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-(4-tert-butylpiperazin-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) 2.97 8.18 -84.21 3 4 2 37 310.511 3 ↓
Hi High (pH 8-9.5) 2.97 4.7 -6 1 4 0 31 308.495 3 ↓
Mid Mid (pH 6-8) 2.97 6.12 -38.82 2 4 1 36 309.503 3 ↓

Analogs

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Popular Name: (7S)-2-(4-tert-butylpiperazin-1-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-2-(4-tert-butylpiperazin-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) 2.97 8.18 -83.73 3 4 2 37 310.511 3 ↓
Hi High (pH 8-9.5) 2.97 4.71 -4.49 1 4 0 31 308.495 3 ↓
Mid Mid (pH 6-8) 2.97 6.12 -38.79 2 4 1 36 309.503 3 ↓

Analogs

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Popular Name: (7R)-5,5-dimethyl-2-(4-propylpiperazin-1-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol (7R)-5,5-dimethyl-2-(4-propylpip…

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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 6.79 -41.37 2 4 1 41 310.487 3 ↓
Mid Mid (pH 6-8) 3.00 7.19 -92.44 3 4 2 42 311.495 3 ↓
Mid Mid (pH 6-8) 3.00 4.98 -24.82 2 4 1 41 310.487 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-5,5-dimethyl-2-(4-propylpiperazin-1-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol (7S)-5,5-dimethyl-2-(4-propylpip…

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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 6.79 -41.65 2 4 1 41 310.487 3 ↓
Mid Mid (pH 6-8) 3.00 7.19 -92.76 3 4 2 42 311.495 3 ↓
Mid Mid (pH 6-8) 3.00 4.98 -24.79 2 4 1 41 310.487 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-(4-propylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7R)-2-(4-propylpiperazin-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) 2.11 5.88 -42.2 2 4 1 41 282.433 3 ↓
Mid Mid (pH 6-8) 2.11 3.67 -6.26 1 4 0 40 281.425 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-(4-propylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7S)-2-(4-propylpiperazin-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) 2.11 5.89 -42.02 2 4 1 41 282.433 3 ↓
Mid Mid (pH 6-8) 2.11 3.67 -6.29 1 4 0 40 281.425 3 ↓

Analogs

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Popular Name: (7R)-2-(4-ethylpiperazin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (7R)-2-(4-ethylpiperazin-1-yl)-5…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.50 6.05 -40.84 2 4 1 41 296.46 2 ↓
Mid Mid (pH 6-8) 2.50 3.83 -5.85 1 4 0 40 295.452 2 ↓
Mid Mid (pH 6-8) 2.50 4.22 -24.72 2 4 1 41 296.46 2 ↓

Analogs

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Popular Name: (7S)-2-(4-ethylpiperazin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (7S)-2-(4-ethylpiperazin-1-yl)-5…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.50 6.05 -40.58 2 4 1 41 296.46 2 ↓
Mid Mid (pH 6-8) 2.50 3.83 -5.85 1 4 0 40 295.452 2 ↓
Mid Mid (pH 6-8) 2.50 4.22 -24.75 2 4 1 41 296.46 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7R)-2-(4-ethylpiperazin-1-yl)-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) 1.61 5.14 -41.24 2 4 1 41 268.406 2 ↓
Mid Mid (pH 6-8) 1.61 2.93 -6.49 1 4 0 40 267.398 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7S)-2-(4-ethylpiperazin-1-yl)-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) 1.61 5.14 -41.52 2 4 1 41 268.406 2 ↓
Mid Mid (pH 6-8) 1.61 2.93 -6.42 1 4 0 40 267.398 2 ↓

Analogs

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Popular Name: (7R)-5,5-dimethyl-2-(4-methylpiperazin-1-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol (7R)-5,5-dimethyl-2-(4-methylpip…

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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 5.36 -42.59 2 4 1 41 282.433 1 ↓
Mid Mid (pH 6-8) 2.12 3.01 -6.12 1 4 0 40 281.425 1 ↓
Mid Mid (pH 6-8) 2.12 3.4 -24.77 2 4 1 41 282.433 1 ↓

Analogs

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Popular Name: (7S)-5,5-dimethyl-2-(4-methylpiperazin-1-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol (7S)-5,5-dimethyl-2-(4-methylpip…

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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 5.36 -42.32 2 4 1 41 282.433 1 ↓
Mid Mid (pH 6-8) 2.12 3.4 -24.8 2 4 1 41 282.433 1 ↓
Mid Mid (pH 6-8) 2.12 5.76 -91.1 3 4 2 42 283.441 1 ↓

Parameters Provided:

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