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Popular Name: profen profen

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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) 4.49 -0.17 -48.86 0 3 -1 53 282.344 3 ↓

Analogs

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Popular Name: 2-(o-tolyl)-1,3-benzothiazol-6-amine 2-(o-tolyl)-1,3-benzothiazol-6-a…

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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) 3.74 6.78 -8.12 2 2 0 39 240.331 1 ↓

Analogs

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Popular Name: 2-(2-phenyl-1,3-benzothiazol-5-yl)ethanamine 2-(2-phenyl-1,3-benzothiazol-5-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) 3.25 6.57 -52.98 3 2 1 41 255.366 3 ↓

Analogs

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Popular Name: 2-(4-ethylphenyl)-1,3-benzothiazol-6-amine 2-(4-ethylphenyl)-1,3-benzothiaz…

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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) 4.26 7.1 -8.3 2 2 0 39 254.358 2 ↓

Analogs

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Popular Name: 2-(2-methoxyphenyl)-1,3-benzothiazol-6-amine 2-(2-methoxyphenyl)-1,3-benzothi…

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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) 3.35 5.3 -11.41 2 3 0 48 256.33 2 ↓

Analogs

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Popular Name: 2-(2-chlorophenyl)-1,3-benzothiazol-6-amine 2-(2-chlorophenyl)-1,3-benzothia…

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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) 3.97 6.51 -9.59 2 2 0 39 260.749 1 ↓

Analogs

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Popular Name: 2-(5-chloro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-aniline 2-(5-chloro-1,3-benzothiazol-2-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) 4.00 5.4 -10.63 2 4 0 57 320.801 3 ↓

Analogs

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Popular Name: 2-(4-isopropylphenyl)-1,3-benzothiazol-6-amine 2-(4-isopropylphenyl)-1,3-benzot…

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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) 4.85 7.57 -8.06 2 2 0 39 268.385 2 ↓

Analogs

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Popular Name: 2-(4-dimethylaminophenyl)-1,3-benzothiazol-6-amine 2-(4-dimethylaminophenyl)-1,3-be…

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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) 3.44 6.06 -9.34 2 3 0 42 269.373 2 ↓

Analogs

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Popular Name: N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]pentanamide N-[3-(1,3-benzothiazol-2-yl)-2-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.76 9.39 -14.58 1 3 0 42 324.449 5 ↓

Analogs

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Popular Name: N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2-ethyl-butanamide N-[3-(1,3-benzothiazol-2-yl)-2-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.95 9.75 -14.08 1 3 0 42 338.476 5 ↓

Analogs

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Popular Name: 2-chloro-4-(5-chloro-1,3-benzothiazol-2-yl)-5-methoxy-aniline 2-chloro-4-(5-chloro-1,3-benzoth…

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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) 5.02 6.39 -8.3 2 3 0 48 325.22 2 ↓

Analogs

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Popular Name: 2-chloro-5-methoxy-4-(5-methyl-1,3-benzothiazol-2-yl)aniline 2-chloro-5-methoxy-4-(5-methyl-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) 4.79 6.39 -10.19 2 3 0 48 304.802 2 ↓

Analogs

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Popular Name: 2-chloro-4-(5-fluoro-1,3-benzothiazol-2-yl)-5-methoxy-aniline 2-chloro-4-(5-fluoro-1,3-benzoth…

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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) 4.50 5.95 -8.73 2 3 0 48 308.765 2 ↓

Analogs

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Popular Name: 4-(5-bromo-1,3-benzothiazol-2-yl)-2-chloro-5-methoxy-aniline 4-(5-bromo-1,3-benzothiazol-2-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) 5.15 6.49 -8.17 2 3 0 48 369.671 2 ↓

Analogs

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Popular Name: 2-chloro-4-(7-chloro-1,3-benzothiazol-2-yl)-5-methoxy-aniline 2-chloro-4-(7-chloro-1,3-benzoth…

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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) 4.99 6.39 -9.53 2 3 0 48 325.22 2 ↓

Analogs

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Popular Name: (2S)-2-[2-(1,3-benzothiazol-2-yl)phenoxy]propan-1-amine (2S)-2-[2-(1,3-benzothiazol-2-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) 3.47 6.4 -45.22 3 3 1 50 285.392 4 ↓
Hi High (pH 8-9.5) 3.47 5.96 -11.42 2 3 0 48 284.384 4 ↓

Analogs

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Popular Name: (2R)-2-[2-(1,3-benzothiazol-2-yl)phenoxy]propan-1-amine (2R)-2-[2-(1,3-benzothiazol-2-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) 3.47 6.43 -44.77 3 3 1 50 285.392 4 ↓
Hi High (pH 8-9.5) 3.47 6.06 -9.26 2 3 0 48 284.384 4 ↓

Analogs

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Popular Name: 4-[2-(1,3-benzothiazol-2-yl)phenoxy]butan-1-amine 4-[2-(1,3-benzothiazol-2-yl)phen…

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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) 3.64 7.32 -51.01 3 3 1 50 299.419 6 ↓

Analogs

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Popular Name: 2-[2-(1,3-benzothiazol-2-yl)phenoxy]ethanamine 2-[2-(1,3-benzothiazol-2-yl)phen…

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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) 3.10 5.83 -45.94 3 3 1 50 271.365 4 ↓
Hi High (pH 8-9.5) 3.10 5.4 -11.54 2 3 0 48 270.357 4 ↓

Analogs

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Popular Name: 3-[2-(1,3-benzothiazol-2-yl)phenoxy]propan-1-amine 3-[2-(1,3-benzothiazol-2-yl)phen…

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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) 3.37 6.54 -50.87 3 3 1 50 285.392 5 ↓

Analogs

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Popular Name: (2S)-2-[2-(1,3-benzothiazol-2-yl)phenoxy]-N-methyl-propan-1-amine (2S)-2-[2-(1,3-benzothiazol-2-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) 4.45 8.29 -40.63 2 3 1 39 299.419 5 ↓
Hi High (pH 8-9.5) 4.45 6.85 -9.17 1 3 0 34 298.411 5 ↓

Analogs

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Popular Name: (2R)-2-[2-(1,3-benzothiazol-2-yl)phenoxy]-N-methyl-propan-1-amine (2R)-2-[2-(1,3-benzothiazol-2-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) 4.45 8.3 -40.22 2 3 1 39 299.419 5 ↓
Hi High (pH 8-9.5) 4.45 6.83 -10.99 1 3 0 34 298.411 5 ↓

Analogs

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Popular Name: 3-[2-(1,3-benzothiazol-2-yl)phenoxy]-N-methyl-propan-1-amine 3-[2-(1,3-benzothiazol-2-yl)phen…

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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) 4.35 8.41 -46.1 2 3 1 39 299.419 6 ↓

Analogs

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Popular Name: 2-[2-(1,3-benzothiazol-2-yl)phenoxy]-N-methyl-ethanamine 2-[2-(1,3-benzothiazol-2-yl)phen…

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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) 4.08 7.72 -41.45 2 3 1 39 285.392 5 ↓
Hi High (pH 8-9.5) 4.08 6.23 -11.15 1 3 0 34 284.384 5 ↓

Analogs

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Popular Name: 2-[2-(1,3-benzothiazol-2-yl)phenoxy]-N-ethyl-ethanamine 2-[2-(1,3-benzothiazol-2-yl)phen…

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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) 4.11 8.57 -40.86 2 3 1 39 299.419 6 ↓
Hi High (pH 8-9.5) 4.11 7.16 -10.97 1 3 0 34 298.411 6 ↓

Analogs

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Popular Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)phenoxy]propan-1-amine (2S)-2-[4-(1,3-benzothiazol-2-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) 3.51 6.06 -50.63 3 3 1 50 285.392 4 ↓
Hi High (pH 8-9.5) 3.51 5.62 -8.53 2 3 0 48 284.384 4 ↓

Analogs

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Popular Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)phenoxy]propan-1-amine (2R)-2-[4-(1,3-benzothiazol-2-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) 3.51 6.09 -50.75 3 3 1 50 285.392 4 ↓
Hi High (pH 8-9.5) 3.51 5.73 -7.82 2 3 0 48 284.384 4 ↓

Analogs

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Popular Name: 4-[4-(1,3-benzothiazol-2-yl)phenoxy]butan-1-amine 4-[4-(1,3-benzothiazol-2-yl)phen…

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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) 3.69 6.98 -51.04 3 3 1 50 299.419 6 ↓

Analogs

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Popular Name: 2-[4-(1,3-benzothiazol-2-yl)phenoxy]ethanamine 2-[4-(1,3-benzothiazol-2-yl)phen…

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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) 3.15 5.5 -51.17 3 3 1 50 271.365 4 ↓
Hi High (pH 8-9.5) 3.15 5.12 -8.05 2 3 0 48 270.357 4 ↓

Analogs

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Popular Name: 3-[4-(1,3-benzothiazol-2-yl)phenoxy]propan-1-amine 3-[4-(1,3-benzothiazol-2-yl)phen…

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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 6.2 -52.24 3 3 1 50 285.392 5 ↓

Analogs

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Popular Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-methyl-propan-1-amine (2S)-2-[4-(1,3-benzothiazol-2-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) 4.50 7.95 -45.58 2 3 1 39 299.419 5 ↓
Hi High (pH 8-9.5) 4.50 6.51 -7.58 1 3 0 34 298.411 5 ↓

Analogs

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Popular Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-methyl-propan-1-amine (2R)-2-[4-(1,3-benzothiazol-2-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) 4.50 7.96 -45.7 2 3 1 39 299.419 5 ↓
Hi High (pH 8-9.5) 4.50 6.5 -8.57 1 3 0 34 298.411 5 ↓

Analogs

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Popular Name: 3-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-methyl-propan-1-amine 3-[4-(1,3-benzothiazol-2-yl)phen…

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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) 4.40 8.07 -46.74 2 3 1 39 299.419 6 ↓

Analogs

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Popular Name: 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-methyl-ethanamine 2-[4-(1,3-benzothiazol-2-yl)phen…

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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) 4.13 7.38 -46.02 2 3 1 39 285.392 5 ↓
Hi High (pH 8-9.5) 4.13 5.89 -8.52 1 3 0 34 284.384 5 ↓

Analogs

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Popular Name: 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-ethyl-ethanamine 2-[4-(1,3-benzothiazol-2-yl)phen…

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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) 4.16 8.23 -45.46 2 3 1 39 299.419 6 ↓
Hi High (pH 8-9.5) 4.16 6.82 -8.43 1 3 0 34 298.411 6 ↓

Analogs

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Popular Name: 2-(p-tolyl)-1,3-benzothiazol-5-amine 2-(p-tolyl)-1,3-benzothiazol-5-a…

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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) 3.79 6.31 -8.42 2 2 0 39 240.331 1 ↓

Analogs

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Popular Name: 2-(m-tolyl)-1,3-benzothiazol-6-amine 2-(m-tolyl)-1,3-benzothiazol-6-a…

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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) 3.77 6.32 -8.87 2 2 0 39 240.331 1 ↓

Analogs

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Popular Name: 2-(3-fluorophenyl)-1,3-benzothiazol-6-amine 2-(3-fluorophenyl)-1,3-benzothia…

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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) 3.48 5.72 -8.31 2 2 0 39 244.294 1 ↓

Analogs

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Popular Name: 2-(2-fluorophenyl)-1,3-benzothiazol-6-amine 2-(2-fluorophenyl)-1,3-benzothia…

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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) 3.46 5.86 -11.63 2 2 0 39 244.294 1 ↓

Analogs

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Popular Name: methyl 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) 4.16 8.99 -17.26 0 4 0 48 299.351 5 ↓

Analogs

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Popular Name: 2-(3-methoxyphenyl)-1,3-benzothiazol-5-amine 2-(3-methoxyphenyl)-1,3-benzothi…

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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) 3.38 4.93 -9.46 2 3 0 48 256.33 2 ↓

Analogs

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Popular Name: 2-(4-methoxyphenyl)-1,3-benzothiazol-5-amine 2-(4-methoxyphenyl)-1,3-benzothi…

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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) 3.40 4.94 -8.8 2 3 0 48 256.33 2 ↓

Analogs

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Popular Name: 2-(3-methoxyphenyl)-1,3-benzothiazol-6-amine 2-(3-methoxyphenyl)-1,3-benzothi…

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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) 3.38 4.95 -10.6 2 3 0 48 256.33 2 ↓

Analogs

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Popular Name: 2-(3-chlorophenyl)-1,3-benzothiazol-5-amine 2-(3-chlorophenyl)-1,3-benzothia…

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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) 4.00 6.14 -8.5 2 2 0 39 260.749 1 ↓

Analogs

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Popular Name: 2-(4-chlorophenyl)-1,3-benzothiazol-5-amine 2-(4-chlorophenyl)-1,3-benzothia…

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Activity (Go SEA)

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) 4.02 6.15 -7.05 2 2 0 39 260.749 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chlorophenyl)-1,3-benzothiazol-6-amine 2-(3-chlorophenyl)-1,3-benzothia…

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Activity (Go SEA)

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) 4.00 6.16 -7.9 2 2 0 39 260.749 1 ↓

Analogs

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Popular Name: 3-[2-(1,3-benzothiazol-2-yl)phenoxy]propanal 3-[2-(1,3-benzothiazol-2-yl)phen…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.39 8.22 -14.84 0 3 0 39 283.352 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(1,3-benzothiazol-2-yl)phenoxy]propanal 3-[4-(1,3-benzothiazol-2-yl)phen…

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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) 4.44 7.88 -12.95 0 3 0 39 283.352 5 ↓

Analogs

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Popular Name: 2-(3-bromophenyl)-1,3-benzothiazol-6-amine 2-(3-bromophenyl)-1,3-benzothiaz…

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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) 4.13 6.27 -7.82 2 2 0 39 305.2 1 ↓

Parameters Provided:

ring.id = 479
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 = 479 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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