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Analogs

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Popular Name: (7R)-N2-[(1S)-1-(4-chlorophenyl)ethyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-[(1S)-1-(4-chlorophenyl)…

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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) 2.28 8.54 -45.45 3 3 1 44 322.885 3 ↓
Mid Mid (pH 6-8) 2.28 8.21 -6.52 2 3 0 42 321.877 3 ↓
Mid Mid (pH 6-8) 2.28 8.86 -98.53 4 3 2 45 323.893 3 ↓

Analogs

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Popular Name: (7R)-N2-[(1R)-1-(4-chlorophenyl)ethyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-[(1R)-1-(4-chlorophenyl)…

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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) 2.28 7.89 -46.17 3 3 1 44 322.885 3 ↓
Mid Mid (pH 6-8) 2.28 7.56 -7.04 2 3 0 42 321.877 3 ↓
Mid Mid (pH 6-8) 2.28 8.23 -98.59 4 3 2 45 323.893 3 ↓

Analogs

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Popular Name: (7R)-N2-[(1S)-1-(2-chlorophenyl)ethyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-[(1S)-1-(2-chlorophenyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.23 7.8 -43.88 3 3 1 44 322.885 3 ↓
Mid Mid (pH 6-8) 2.23 7.47 -8.18 2 3 0 42 321.877 3 ↓
Mid Mid (pH 6-8) 2.23 8.08 -90.77 4 3 2 45 323.893 3 ↓

Analogs

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Popular Name: (7R)-N2-[(1R)-1-(2-chlorophenyl)ethyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-[(1R)-1-(2-chlorophenyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.23 7.86 -44.84 3 3 1 44 322.885 3 ↓
Mid Mid (pH 6-8) 2.23 8.13 -90.02 4 3 2 45 323.893 3 ↓
Mid Mid (pH 6-8) 2.23 7.53 -8.16 2 3 0 42 321.877 3 ↓

Analogs

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Popular Name: (7R)-N2-[(1S)-1-(3-chlorophenyl)ethyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-[(1S)-1-(3-chlorophenyl)…

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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) 2.25 8.54 -45.82 3 3 1 44 322.885 3 ↓
Mid Mid (pH 6-8) 2.25 8.21 -5.87 2 3 0 42 321.877 3 ↓
Mid Mid (pH 6-8) 2.25 8.86 -98.25 4 3 2 45 323.893 3 ↓

Analogs

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Popular Name: (7R)-N2-[(1R)-1-(3-chlorophenyl)ethyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-[(1R)-1-(3-chlorophenyl)…

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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) 2.25 7.89 -45.07 3 3 1 44 322.885 3 ↓
Mid Mid (pH 6-8) 2.25 7.56 -6.37 2 3 0 42 321.877 3 ↓
Mid Mid (pH 6-8) 2.25 8.23 -98.35 4 3 2 45 323.893 3 ↓

Analogs

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Popular Name: (7R)-N2-[(1S)-1-(2-fluorophenyl)ethyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-[(1S)-1-(2-fluorophenyl)…

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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) 1.72 7.55 -46.12 3 3 1 44 306.43 3 ↓
Mid Mid (pH 6-8) 1.72 7.88 -90.77 4 3 2 45 307.438 3 ↓
Mid Mid (pH 6-8) 1.72 7.22 -10.66 2 3 0 42 305.422 3 ↓

Analogs

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Popular Name: (7R)-N2-[(1R)-1-(2-fluorophenyl)ethyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-[(1R)-1-(2-fluorophenyl)…

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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) 1.72 7.57 -47.18 3 3 1 44 306.43 3 ↓
Mid Mid (pH 6-8) 1.72 7.25 -10.49 2 3 0 42 305.422 3 ↓
Mid Mid (pH 6-8) 1.72 7.9 -90.36 4 3 2 45 307.438 3 ↓

Analogs

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Popular Name: (7R)-2-[[(1S)-1-(4-chlorophenyl)ethyl]-methyl-amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7R)-2-[[(1S)-1-(4-chlorophenyl)…

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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) 3.98 7.97 -7.05 1 3 0 36 322.861 3 ↓
Lo Low (pH 4.5-6) 3.98 8.27 -28.07 2 3 1 38 323.869 3 ↓

Analogs

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Popular Name: (7R)-2-[[(1R)-1-(4-chlorophenyl)ethyl]-methyl-amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7R)-2-[[(1R)-1-(4-chlorophenyl)…

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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) 3.98 7.31 -7.51 1 3 0 36 322.861 3 ↓
Lo Low (pH 4.5-6) 3.98 7.64 -28.81 2 3 1 38 323.869 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[[(1S)-1-(2-chlorophenyl)ethyl]-methyl-amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7R)-2-[[(1S)-1-(2-chlorophenyl)…

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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) 3.93 7.22 -8.55 1 3 0 36 322.861 3 ↓
Lo Low (pH 4.5-6) 3.93 7.5 -24.22 2 3 1 38 323.869 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]-methyl-amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7R)-2-[[(1R)-1-(2-chlorophenyl)…

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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) 3.93 7.29 -8.48 1 3 0 36 322.861 3 ↓
Lo Low (pH 4.5-6) 3.93 7.55 -24.65 2 3 1 38 323.869 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[[(1S)-1-(3-chlorophenyl)ethyl]-methyl-amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7R)-2-[[(1S)-1-(3-chlorophenyl)…

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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) 3.95 7.97 -6.43 1 3 0 36 322.861 3 ↓
Lo Low (pH 4.5-6) 3.95 8.27 -27.77 2 3 1 38 323.869 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[[(1R)-1-(3-chlorophenyl)ethyl]-methyl-amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7R)-2-[[(1R)-1-(3-chlorophenyl)…

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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) 3.95 7.31 -6.86 1 3 0 36 322.861 3 ↓
Lo Low (pH 4.5-6) 3.95 7.64 -27.59 2 3 1 38 323.869 3 ↓

Analogs

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Popular Name: (7R)-2-[[(1S)-1-(2-fluorophenyl)ethyl]-methyl-amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7R)-2-[[(1S)-1-(2-fluorophenyl)…

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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) 3.42 6.98 -10.98 1 3 0 36 306.406 3 ↓
Lo Low (pH 4.5-6) 3.42 7.29 -24.44 2 3 1 38 307.414 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[[(1R)-1-(2-fluorophenyl)ethyl]-methyl-amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7R)-2-[[(1R)-1-(2-fluorophenyl)…

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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) 3.42 7 -10.72 1 3 0 36 306.406 3 ↓
Lo Low (pH 4.5-6) 3.42 7.32 -25.01 2 3 1 38 307.414 3 ↓

Analogs

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Popular Name: (7R)-N2-benzyl-N2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7R)-N2-benzyl-N2,5,5-trimethyl-…

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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) 1.93 8.04 -45.42 3 3 1 44 302.467 3 ↓
Hi High (pH 8-9.5) 1.93 7.72 -6.96 2 3 0 42 301.459 3 ↓
Mid Mid (pH 6-8) 1.93 8.33 -97.11 4 3 2 45 303.475 3 ↓

Analogs

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Popular Name: (7S)-N2-benzyl-N2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7S)-N2-benzyl-N2,5,5-trimethyl-…

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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) 1.93 8.04 -44.98 3 3 1 44 302.467 3 ↓
Hi High (pH 8-9.5) 1.93 7.72 -5.8 2 3 0 42 301.459 3 ↓
Mid Mid (pH 6-8) 1.93 8.33 -97.39 4 3 2 45 303.475 3 ↓

Analogs

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Popular Name: (7R)-N2-benzyl-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-benzyl-N2-methyl-4,5,6,7…

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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) 1.04 7.16 -44.48 3 3 1 44 274.413 3 ↓
Mid Mid (pH 6-8) 1.04 6.84 -7.44 2 3 0 42 273.405 3 ↓
Lo Low (pH 4.5-6) 1.04 7.45 -95.63 4 3 2 45 275.421 3 ↓

Analogs

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Popular Name: (7S)-N2-benzyl-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-benzyl-N2-methyl-4,5,6,7…

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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) 1.04 7.16 -44.86 3 3 1 44 274.413 3 ↓
Mid Mid (pH 6-8) 1.04 6.84 -6.28 2 3 0 42 273.405 3 ↓
Lo Low (pH 4.5-6) 1.04 7.45 -95.38 4 3 2 45 275.421 3 ↓

Analogs

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Popular Name: (7R)-N2-methyl-N2-(p-tolylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-methyl-N2-(p-tolylmethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.49 7.84 -44.48 3 3 1 44 288.44 3 ↓
Mid Mid (pH 6-8) 1.49 7.51 -7.58 2 3 0 42 287.432 3 ↓
Lo Low (pH 4.5-6) 1.49 8.13 -95.68 4 3 2 45 289.448 3 ↓

Analogs

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Popular Name: (7S)-N2-methyl-N2-(p-tolylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-methyl-N2-(p-tolylmethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.49 7.84 -44.89 3 3 1 44 288.44 3 ↓
Mid Mid (pH 6-8) 1.49 7.52 -6.35 2 3 0 42 287.432 3 ↓
Lo Low (pH 4.5-6) 1.49 8.13 -95.53 4 3 2 45 289.448 3 ↓

Analogs

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Popular Name: (7R)-N2-[(3-fluorophenyl)methyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-[(3-fluorophenyl)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) 1.18 7.23 -46.45 3 3 1 44 292.403 3 ↓
Mid Mid (pH 6-8) 1.18 6.91 -9.99 2 3 0 42 291.395 3 ↓
Lo Low (pH 4.5-6) 1.18 7.52 -96.33 4 3 2 45 293.411 3 ↓

Analogs

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Popular Name: (7S)-N2-[(3-fluorophenyl)methyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-[(3-fluorophenyl)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) 1.18 7.23 -47.17 3 3 1 44 292.403 3 ↓
Mid Mid (pH 6-8) 1.18 6.91 -8.75 2 3 0 42 291.395 3 ↓
Lo Low (pH 4.5-6) 1.18 7.52 -95.14 4 3 2 45 293.411 3 ↓

Analogs

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Popular Name: (7R)-N2-benzyl-N2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-benzyl-N2-ethyl-4,5,6,7-…

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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) 1.42 8.11 -44 3 3 1 44 288.44 4 ↓
Mid Mid (pH 6-8) 1.42 7.78 -7.15 2 3 0 42 287.432 4 ↓
Lo Low (pH 4.5-6) 1.42 8.4 -95.4 4 3 2 45 289.448 4 ↓

Analogs

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Popular Name: (7S)-N2-benzyl-N2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-benzyl-N2-ethyl-4,5,6,7-…

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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) 1.42 8.11 -44.32 3 3 1 44 288.44 4 ↓
Mid Mid (pH 6-8) 1.42 7.79 -6.04 2 3 0 42 287.432 4 ↓
Lo Low (pH 4.5-6) 1.42 8.4 -95.26 4 3 2 45 289.448 4 ↓

Analogs

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Popular Name: (7R)-N2-[(3-chlorophenyl)methyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-[(3-chlorophenyl)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) 1.70 7.67 -45.3 3 3 1 44 308.858 3 ↓
Mid Mid (pH 6-8) 1.70 7.35 -8.74 2 3 0 42 307.85 3 ↓
Lo Low (pH 4.5-6) 1.70 7.96 -95.65 4 3 2 45 309.866 3 ↓

Analogs

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Popular Name: (7S)-N2-[(3-chlorophenyl)methyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-[(3-chlorophenyl)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) 1.70 7.67 -45.92 3 3 1 44 308.858 3 ↓
Mid Mid (pH 6-8) 1.70 7.35 -7.46 2 3 0 42 307.85 3 ↓
Lo Low (pH 4.5-6) 1.70 7.96 -94.4 4 3 2 45 309.866 3 ↓

Analogs

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Popular Name: (7R)-N2-[(4-methoxyphenyl)methyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-[(4-methoxyphenyl)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) 1.10 6.46 -45.89 3 4 1 53 304.439 4 ↓
Mid Mid (pH 6-8) 1.10 6.14 -8.57 2 4 0 51 303.431 4 ↓
Lo Low (pH 4.5-6) 1.10 6.74 -99.27 4 4 2 54 305.447 4 ↓

Analogs

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Popular Name: (7S)-N2-[(4-methoxyphenyl)methyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-[(4-methoxyphenyl)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) 1.10 6.46 -46.25 3 4 1 53 304.439 4 ↓
Mid Mid (pH 6-8) 1.10 6.14 -7.39 2 4 0 51 303.431 4 ↓
Lo Low (pH 4.5-6) 1.10 6.74 -99.26 4 4 2 54 305.447 4 ↓

Analogs

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Popular Name: (7R)-N2-[(2-methoxyphenyl)methyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-[(2-methoxyphenyl)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) 1.05 7.18 -44.44 3 4 1 53 304.439 4 ↓
Mid Mid (pH 6-8) 1.05 6.86 -7.84 2 4 0 51 303.431 4 ↓
Lo Low (pH 4.5-6) 1.05 6.97 -94.98 4 4 2 54 305.447 4 ↓

Analogs

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Popular Name: (7S)-N2-[(2-methoxyphenyl)methyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-[(2-methoxyphenyl)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) 1.05 6.51 -44.07 3 4 1 53 304.439 4 ↓
Mid Mid (pH 6-8) 1.05 6.18 -6.03 2 4 0 51 303.431 4 ↓
Lo Low (pH 4.5-6) 1.05 6.98 -94.92 4 4 2 54 305.447 4 ↓

Analogs

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Popular Name: (7R)-N2-[(3-bromophenyl)methyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-[(3-bromophenyl)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) 1.83 7.78 -45.17 3 3 1 44 353.309 3 ↓
Mid Mid (pH 6-8) 1.83 7.45 -8.62 2 3 0 42 352.301 3 ↓
Lo Low (pH 4.5-6) 1.83 8.07 -95.51 4 3 2 45 354.317 3 ↓

Analogs

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Popular Name: (7S)-N2-[(3-bromophenyl)methyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-[(3-bromophenyl)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) 1.83 7.78 -45.8 3 3 1 44 353.309 3 ↓
Mid Mid (pH 6-8) 1.83 7.46 -7.39 2 3 0 42 352.301 3 ↓
Lo Low (pH 4.5-6) 1.83 8.07 -94.2 4 3 2 45 354.317 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-[(2-bromophenyl)methyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-[(2-bromophenyl)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) 1.80 8.12 -46.77 3 3 1 44 353.309 3 ↓
Mid Mid (pH 6-8) 1.80 7.78 -6.59 2 3 0 42 352.301 3 ↓
Lo Low (pH 4.5-6) 1.80 8.51 -94.32 4 3 2 45 354.317 3 ↓

Analogs

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Popular Name: (7S)-N2-[(2-bromophenyl)methyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-[(2-bromophenyl)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) 1.80 8.12 -46.27 3 3 1 44 353.309 3 ↓
Mid Mid (pH 6-8) 1.80 7.79 -5.56 2 3 0 42 352.301 3 ↓
Lo Low (pH 4.5-6) 1.80 8.51 -94.45 4 3 2 45 354.317 3 ↓

Analogs

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Popular Name: (7R)-N2-[(2-fluorophenyl)methyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-[(2-fluorophenyl)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) 1.16 7.61 -46.02 3 3 1 44 292.403 3 ↓
Mid Mid (pH 6-8) 1.16 7.29 -10.24 2 3 0 42 291.395 3 ↓
Lo Low (pH 4.5-6) 1.16 7.27 -90.08 4 3 2 45 293.411 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-[(2-fluorophenyl)methyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-[(2-fluorophenyl)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) 1.16 7.61 -46.52 3 3 1 44 292.403 3 ↓
Mid Mid (pH 6-8) 1.16 7.29 -8.94 2 3 0 42 291.395 3 ↓
Lo Low (pH 4.5-6) 1.16 7.27 -89.37 4 3 2 45 293.411 3 ↓

Analogs

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Popular Name: (7R)-N2-methyl-N2-(o-tolylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-methyl-N2-(o-tolylmethyl…

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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) 1.44 8.11 -45.72 3 3 1 44 288.44 3 ↓
Mid Mid (pH 6-8) 1.44 7.78 -7.32 2 3 0 42 287.432 3 ↓
Lo Low (pH 4.5-6) 1.44 8.54 -95.35 4 3 2 45 289.448 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-methyl-N2-(o-tolylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-methyl-N2-(o-tolylmethyl…

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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) 1.44 8.11 -45.94 3 3 1 44 288.44 3 ↓
Mid Mid (pH 6-8) 1.44 7.79 -6.16 2 3 0 42 287.432 3 ↓
Lo Low (pH 4.5-6) 1.44 8.55 -94.41 4 3 2 45 289.448 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-[(4-chlorophenyl)methyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-[(4-chlorophenyl)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) 1.72 7.68 -44.88 3 3 1 44 308.858 3 ↓
Mid Mid (pH 6-8) 1.72 7.36 -7.43 2 3 0 42 307.85 3 ↓
Lo Low (pH 4.5-6) 1.72 7.97 -99.46 4 3 2 45 309.866 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-[(4-chlorophenyl)methyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-[(4-chlorophenyl)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) 1.72 7.68 -45.34 3 3 1 44 308.858 3 ↓
Mid Mid (pH 6-8) 1.72 7.36 -6.25 2 3 0 42 307.85 3 ↓
Lo Low (pH 4.5-6) 1.72 7.97 -99.1 4 3 2 45 309.866 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-[(2-chlorophenyl)methyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-[(2-chlorophenyl)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) 1.67 8.02 -46.81 3 3 1 44 308.858 3 ↓
Mid Mid (pH 6-8) 1.67 7.69 -6.64 2 3 0 42 307.85 3 ↓
Lo Low (pH 4.5-6) 1.67 8.41 -94.37 4 3 2 45 309.866 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-[(2-chlorophenyl)methyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-[(2-chlorophenyl)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) 1.67 8.03 -46.23 3 3 1 44 308.858 3 ↓
Mid Mid (pH 6-8) 1.67 7.69 -5.61 2 3 0 42 307.85 3 ↓
Lo Low (pH 4.5-6) 1.67 8.42 -94.49 4 3 2 45 309.866 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-[(4-bromophenyl)methyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-[(4-bromophenyl)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) 1.85 7.79 -44.85 3 3 1 44 353.309 3 ↓
Mid Mid (pH 6-8) 1.85 7.46 -7.32 2 3 0 42 352.301 3 ↓
Lo Low (pH 4.5-6) 1.85 8.08 -99.71 4 3 2 45 354.317 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-[(4-bromophenyl)methyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-[(4-bromophenyl)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) 1.85 7.79 -45.32 3 3 1 44 353.309 3 ↓
Mid Mid (pH 6-8) 1.85 7.47 -6.17 2 3 0 42 352.301 3 ↓
Lo Low (pH 4.5-6) 1.85 8.08 -99.23 4 3 2 45 354.317 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-[(3-methoxyphenyl)methyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-[(3-methoxyphenyl)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) 1.07 6.46 -46.59 3 4 1 53 304.439 4 ↓
Mid Mid (pH 6-8) 1.07 6.14 -10.52 2 4 0 51 303.431 4 ↓
Lo Low (pH 4.5-6) 1.07 6.74 -94.59 4 4 2 54 305.447 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-[(3-methoxyphenyl)methyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-[(3-methoxyphenyl)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) 1.07 6.46 -47.24 3 4 1 53 304.439 4 ↓
Mid Mid (pH 6-8) 1.07 6.14 -9.23 2 4 0 51 303.431 4 ↓
Lo Low (pH 4.5-6) 1.07 6.74 -93.58 4 4 2 54 305.447 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-[(4-fluorophenyl)methyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-[(4-fluorophenyl)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) 1.21 7.23 -45.57 3 3 1 44 292.403 3 ↓
Mid Mid (pH 6-8) 1.21 6.91 -8.05 2 3 0 42 291.395 3 ↓
Lo Low (pH 4.5-6) 1.21 7.52 -100.41 4 3 2 45 293.411 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-[(4-fluorophenyl)methyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-[(4-fluorophenyl)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) 1.21 7.23 -46.09 3 3 1 44 292.403 3 ↓
Mid Mid (pH 6-8) 1.21 6.91 -6.9 2 3 0 42 291.395 3 ↓
Lo Low (pH 4.5-6) 1.21 7.52 -100.06 4 3 2 45 293.411 3 ↓

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