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Analogs

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Popular Name: 5-chloro-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)benzonitrile 5-chloro-2-(4,5,6,7-tetrahydro-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) 4.58 9.37 -4.81 1 3 0 49 289.791 2 ↓

Analogs

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Popular Name: 2-chloro-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)benzenecarbothioamide 2-chloro-6-(4,5,6,7-tetrahydro-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) 4.60 8.15 -11.03 3 3 0 51 323.874 3 ↓

Analogs

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Popular Name: 2-chloro-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)benzonitrile 2-chloro-6-(4,5,6,7-tetrahydro-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) 4.56 9.26 -6.17 1 3 0 49 289.791 2 ↓

Analogs

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Popular Name: (7R)-N2-ethyl-5,5-dimethyl-N2-phenyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7R)-N2-ethyl-5,5-dimethyl-N2-ph…

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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) 2.60 8.42 -44.48 3 3 1 44 302.467 3 ↓
Mid Mid (pH 6-8) 2.60 8.09 -6.36 2 3 0 42 301.459 3 ↓
Lo Low (pH 4.5-6) 2.60 8.82 -94.75 4 3 2 45 303.475 3 ↓

Analogs

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Popular Name: (7S)-N2-ethyl-5,5-dimethyl-N2-phenyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7S)-N2-ethyl-5,5-dimethyl-N2-ph…

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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) 2.60 8.42 -44.25 3 3 1 44 302.467 3 ↓
Mid Mid (pH 6-8) 2.60 8.1 -5.09 2 3 0 42 301.459 3 ↓
Lo Low (pH 4.5-6) 2.60 8.82 -94.62 4 3 2 45 303.475 3 ↓

Analogs

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Popular Name: (7R)-N2-ethyl-N2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-ethyl-N2-phenyl-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) 1.72 7.54 -44.08 3 3 1 44 274.413 3 ↓
Mid Mid (pH 6-8) 1.72 7.22 -6.77 2 3 0 42 273.405 3 ↓
Lo Low (pH 4.5-6) 1.72 7.94 -93.03 4 3 2 45 275.421 3 ↓

Analogs

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Popular Name: (7S)-N2-ethyl-N2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-ethyl-N2-phenyl-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) 1.72 7.54 -43.91 3 3 1 44 274.413 3 ↓
Mid Mid (pH 6-8) 1.72 7.22 -5.57 2 3 0 42 273.405 3 ↓
Lo Low (pH 4.5-6) 1.72 7.95 -92.96 4 3 2 45 275.421 3 ↓

Analogs

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

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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 7.9 -48.95 3 3 1 44 288.44 2 ↓
Mid Mid (pH 6-8) 2.23 7.56 -7.39 2 3 0 42 287.432 2 ↓
Lo Low (pH 4.5-6) 2.23 7.93 -93.39 4 3 2 45 289.448 2 ↓

Analogs

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

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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 7.9 -49.13 3 3 1 44 288.44 2 ↓
Mid Mid (pH 6-8) 2.23 7.57 -6.33 2 3 0 42 287.432 2 ↓
Lo Low (pH 4.5-6) 2.23 7.93 -92.59 4 3 2 45 289.448 2 ↓

Analogs

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Popular Name: (7R)-N2-methyl-N2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-methyl-N2-phenyl-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) 1.34 7.02 -48.63 3 3 1 44 260.386 2 ↓
Mid Mid (pH 6-8) 1.34 6.68 -7.79 2 3 0 42 259.378 2 ↓
Lo Low (pH 4.5-6) 1.34 7.07 -91.22 4 3 2 45 261.394 2 ↓

Analogs

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Popular Name: (7S)-N2-methyl-N2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-methyl-N2-phenyl-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) 1.34 7.02 -48.44 3 3 1 44 260.386 2 ↓
Mid Mid (pH 6-8) 1.34 6.69 -6.7 2 3 0 42 259.378 2 ↓
Lo Low (pH 4.5-6) 1.34 7.06 -91.82 4 3 2 45 261.394 2 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.12 8.18 -46.44 3 3 1 44 288.44 3 ↓
Mid Mid (pH 6-8) 2.12 7.85 -7.24 2 3 0 42 287.432 3 ↓
Lo Low (pH 4.5-6) 2.12 8.62 -90.74 4 3 2 45 289.448 3 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.12 8.18 -46.55 3 3 1 44 288.44 3 ↓
Mid Mid (pH 6-8) 2.12 7.86 -6.06 2 3 0 42 287.432 3 ↓
Lo Low (pH 4.5-6) 2.12 8.62 -90.76 4 3 2 45 289.448 3 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.14 8.54 -48.21 3 3 1 44 288.44 3 ↓
Mid Mid (pH 6-8) 2.14 8.2 -7.55 2 3 0 42 287.432 3 ↓
Lo Low (pH 4.5-6) 2.14 8.61 -91.69 4 3 2 45 289.448 3 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.14 8.54 -48.05 3 3 1 44 288.44 3 ↓
Mid Mid (pH 6-8) 2.14 8.21 -6.44 2 3 0 42 287.432 3 ↓
Lo Low (pH 4.5-6) 2.14 8.61 -91.3 4 3 2 45 289.448 3 ↓

Analogs

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Popular Name: (7R)-N2-ethyl-N2-(2-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-ethyl-N2-(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) 1.83 7.65 -45.06 3 3 1 44 292.403 3 ↓
Mid Mid (pH 6-8) 1.83 7.32 -9.01 2 3 0 42 291.395 3 ↓
Lo Low (pH 4.5-6) 1.83 7.99 -94.17 4 3 2 45 293.411 3 ↓

Analogs

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Popular Name: (7S)-N2-ethyl-N2-(2-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-ethyl-N2-(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) 1.83 7.65 -46.23 3 3 1 44 292.403 3 ↓
Mid Mid (pH 6-8) 1.83 7.33 -7.69 2 3 0 42 291.395 3 ↓
Lo Low (pH 4.5-6) 1.83 7.99 -93.04 4 3 2 45 293.411 3 ↓

Analogs

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Popular Name: (7R)-N2-ethyl-N2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-ethyl-N2-(4-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) 1.88 7.62 -44.78 3 3 1 44 292.403 3 ↓
Mid Mid (pH 6-8) 1.88 7.29 -6.04 2 3 0 42 291.395 3 ↓

Analogs

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Popular Name: (7S)-N2-ethyl-N2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-ethyl-N2-(4-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) 1.88 7.61 -44.58 3 3 1 44 292.403 3 ↓
Mid Mid (pH 6-8) 1.88 7.29 -4.95 2 3 0 42 291.395 3 ↓

Analogs

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

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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) 1.37 6.31 -51.37 3 4 1 53 290.412 3 ↓
Mid Mid (pH 6-8) 1.37 5.98 -10.79 2 4 0 51 289.404 3 ↓
Lo Low (pH 4.5-6) 1.37 6.36 -93.22 4 4 2 54 291.42 3 ↓

Analogs

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

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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) 1.37 6.32 -51.19 3 4 1 53 290.412 3 ↓
Mid Mid (pH 6-8) 1.37 5.99 -9.64 2 4 0 51 289.404 3 ↓
Lo Low (pH 4.5-6) 1.37 6.36 -94.35 4 4 2 54 291.42 3 ↓

Analogs

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

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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) 2.65 8.56 -49.19 3 3 1 44 302.467 2 ↓
Mid Mid (pH 6-8) 2.65 8.22 -7.41 2 3 0 42 301.459 2 ↓
Lo Low (pH 4.5-6) 2.65 8.61 -92.8 4 3 2 45 303.475 2 ↓

Analogs

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

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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) 2.65 8.56 -48.98 3 3 1 44 302.467 2 ↓
Mid Mid (pH 6-8) 2.65 8.23 -6.27 2 3 0 42 301.459 2 ↓
Lo Low (pH 4.5-6) 2.65 8.61 -93.53 4 3 2 45 303.475 2 ↓

Analogs

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

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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) 1.76 7.68 -48.69 3 3 1 44 274.413 2 ↓
Mid Mid (pH 6-8) 1.76 7.35 -7.8 2 3 0 42 273.405 2 ↓
Lo Low (pH 4.5-6) 1.76 7.73 -91.35 4 3 2 45 275.421 2 ↓

Analogs

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

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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) 1.76 7.68 -48.48 3 3 1 44 274.413 2 ↓
Mid Mid (pH 6-8) 1.76 7.35 -6.72 2 3 0 42 273.405 2 ↓
Lo Low (pH 4.5-6) 1.76 7.73 -92.06 4 3 2 45 275.421 2 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.17 8.54 -48.1 3 3 1 44 288.44 3 ↓
Mid Mid (pH 6-8) 2.17 8.2 -7.57 2 3 0 42 287.432 3 ↓
Lo Low (pH 4.5-6) 2.17 8.63 -91.61 4 3 2 45 289.448 3 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.17 8.54 -47.86 3 3 1 44 288.44 3 ↓
Mid Mid (pH 6-8) 2.17 8.21 -6.46 2 3 0 42 287.432 3 ↓
Lo Low (pH 4.5-6) 2.17 8.62 -91.29 4 3 2 45 289.448 3 ↓

Analogs

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

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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) 2.39 7.97 -50.57 3 3 1 44 306.43 2 ↓
Mid Mid (pH 6-8) 2.39 7.63 -7.5 2 3 0 42 305.422 2 ↓
Lo Low (pH 4.5-6) 2.39 8 -97.61 4 3 2 45 307.438 2 ↓

Analogs

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

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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) 2.39 7.97 -50.81 3 3 1 44 306.43 2 ↓
Mid Mid (pH 6-8) 2.39 7.63 -6.43 2 3 0 42 305.422 2 ↓
Lo Low (pH 4.5-6) 2.39 8 -96.87 4 3 2 45 307.438 2 ↓

Analogs

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Popular Name: (7R)-N2-(4-fluorophenyl)-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-(4-fluorophenyl)-N2-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) 1.50 7.09 -50.13 3 3 1 44 278.376 2 ↓
Mid Mid (pH 6-8) 1.50 6.75 -7.81 2 3 0 42 277.368 2 ↓

Analogs

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Popular Name: (7S)-N2-(4-fluorophenyl)-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-(4-fluorophenyl)-N2-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) 1.50 7.09 -49.93 3 3 1 44 278.376 2 ↓
Mid Mid (pH 6-8) 1.50 6.76 -6.75 2 3 0 42 277.368 2 ↓

Analogs

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

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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 8.57 -49.09 3 3 1 44 302.467 2 ↓
Mid Mid (pH 6-8) 2.68 8.24 -7.43 2 3 0 42 301.459 2 ↓
Lo Low (pH 4.5-6) 2.68 8.62 -92.76 4 3 2 45 303.475 2 ↓

Analogs

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

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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 8.57 -48.9 3 3 1 44 302.467 2 ↓
Mid Mid (pH 6-8) 2.68 8.24 -6.31 2 3 0 42 301.459 2 ↓
Lo Low (pH 4.5-6) 2.68 8.62 -93.51 4 3 2 45 303.475 2 ↓

Analogs

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

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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) 1.79 7.69 -48.58 3 3 1 44 274.413 2 ↓
Mid Mid (pH 6-8) 1.79 7.36 -7.82 2 3 0 42 273.405 2 ↓
Lo Low (pH 4.5-6) 1.79 7.74 -91.28 4 3 2 45 275.421 2 ↓

Analogs

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

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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) 1.79 7.7 -48.38 3 3 1 44 274.413 2 ↓
Mid Mid (pH 6-8) 1.79 7.36 -6.75 2 3 0 42 273.405 2 ↓
Lo Low (pH 4.5-6) 1.79 7.74 -92.02 4 3 2 45 275.421 2 ↓

Analogs

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

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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) 1.35 6.1 -47.91 3 4 1 53 290.412 3 ↓
Mid Mid (pH 6-8) 1.35 5.77 -9.49 2 4 0 51 289.404 3 ↓
Lo Low (pH 4.5-6) 1.35 6.54 -89.58 4 4 2 54 291.42 3 ↓

Analogs

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

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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) 1.35 6.1 -47.53 3 4 1 53 290.412 3 ↓
Mid Mid (pH 6-8) 1.35 5.78 -8.27 2 4 0 51 289.404 3 ↓
Lo Low (pH 4.5-6) 1.35 6.54 -90.09 4 4 2 54 291.42 3 ↓

Analogs

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Popular Name: (7R)-N2-ethyl-N2-(3-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-ethyl-N2-(3-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) 1.86 7.61 -46.03 3 3 1 44 292.403 3 ↓
Mid Mid (pH 6-8) 1.86 7.28 -6.42 2 3 0 42 291.395 3 ↓

Analogs

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Popular Name: (7S)-N2-ethyl-N2-(3-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-ethyl-N2-(3-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) 1.86 7.61 -45.09 3 3 1 44 292.403 3 ↓
Mid Mid (pH 6-8) 1.86 7.29 -5.38 2 3 0 42 291.395 3 ↓

Analogs

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

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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 8.43 -47.46 3 3 1 44 302.467 2 ↓
Mid Mid (pH 6-8) 2.63 8.1 -7.11 2 3 0 42 301.459 2 ↓
Lo Low (pH 4.5-6) 2.63 8.87 -92.35 4 3 2 45 303.475 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 8.43 -47.54 3 3 1 44 302.467 2 ↓
Mid Mid (pH 6-8) 2.63 8.11 -5.97 2 3 0 42 301.459 2 ↓
Lo Low (pH 4.5-6) 2.63 8.87 -92.28 4 3 2 45 303.475 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.74 7.55 -46.86 3 3 1 44 274.413 2 ↓
Mid Mid (pH 6-8) 1.74 7.23 -7.49 2 3 0 42 273.405 2 ↓
Lo Low (pH 4.5-6) 1.74 7.99 -90.92 4 3 2 45 275.421 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.74 7.55 -46.96 3 3 1 44 274.413 2 ↓
Mid Mid (pH 6-8) 1.74 7.23 -6.31 2 3 0 42 273.405 2 ↓
Lo Low (pH 4.5-6) 1.74 7.99 -90.83 4 3 2 45 275.421 2 ↓

Analogs

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

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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 8.46 -48.29 3 3 1 44 288.44 3 ↓
Mid Mid (pH 6-8) 2.25 8.12 -7.6 2 3 0 42 287.432 3 ↓
Lo Low (pH 4.5-6) 2.25 8.5 -91.59 4 3 2 45 289.448 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 8.46 -48.12 3 3 1 44 288.44 3 ↓
Mid Mid (pH 6-8) 2.25 8.13 -6.52 2 3 0 42 287.432 3 ↓
Lo Low (pH 4.5-6) 2.25 8.51 -92.33 4 3 2 45 289.448 3 ↓

Analogs

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

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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) 1.40 6.31 -50.29 3 4 1 53 290.412 3 ↓
Mid Mid (pH 6-8) 1.40 5.97 -9.13 2 4 0 51 289.404 3 ↓
Lo Low (pH 4.5-6) 1.40 6.37 -93.81 4 4 2 54 291.42 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.40 6.31 -50.08 3 4 1 53 290.412 3 ↓
Mid Mid (pH 6-8) 1.40 5.98 -8.14 2 4 0 51 289.404 3 ↓
Lo Low (pH 4.5-6) 1.40 6.36 -94.72 4 4 2 54 291.42 3 ↓

Analogs

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

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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) 2.34 7.69 -48.22 3 3 1 44 306.43 2 ↓
Mid Mid (pH 6-8) 2.34 7.36 -9.26 2 3 0 42 305.422 2 ↓
Lo Low (pH 4.5-6) 2.34 8.13 -93.54 4 3 2 45 307.438 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.34 7.69 -49.37 3 3 1 44 306.43 2 ↓
Mid Mid (pH 6-8) 2.34 7.37 -7.91 2 3 0 42 305.422 2 ↓
Lo Low (pH 4.5-6) 2.34 8.13 -92.16 4 3 2 45 307.438 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-(2-fluorophenyl)-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-(2-fluorophenyl)-N2-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) 1.46 6.81 -48.72 3 3 1 44 278.376 2 ↓
Mid Mid (pH 6-8) 1.46 6.49 -9.32 2 3 0 42 277.368 2 ↓
Lo Low (pH 4.5-6) 1.46 7.25 -90.87 4 3 2 45 279.384 2 ↓

Parameters Provided:

ring.id = 28864
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 28864 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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