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Analogs

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Popular Name: 4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-(thiazol-4-ylmethyl)aniline 4-[(1S)-1-aminoethyl]-2-chloro-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) 1.08 5.84 -47.04 3 3 1 44 282.82 4 ↓
Hi High (pH 8-9.5) 1.08 5.51 -5.39 2 3 0 42 281.812 4 ↓

Analogs

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Popular Name: 4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(thiazol-4-ylmethyl)aniline 4-[(1R)-1-aminoethyl]-2-chloro-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) 1.08 5.83 -46.52 3 3 1 44 282.82 4 ↓
Hi High (pH 8-9.5) 1.08 5.53 -4.88 2 3 0 42 281.812 4 ↓

Analogs

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Popular Name: 2-chloro-N-methyl-4-[(1S)-1-(methylamino)ethyl]-N-(thiazol-4-ylmethyl)aniline 2-chloro-N-methyl-4-[(1S)-1-(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) 3.33 7.6 -41.48 2 3 1 33 296.847 5 ↓
Hi High (pH 8-9.5) 3.33 6.43 -4.5 1 3 0 28 295.839 5 ↓

Analogs

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Popular Name: 2-chloro-N-methyl-4-[(1R)-1-(methylamino)ethyl]-N-(thiazol-4-ylmethyl)aniline 2-chloro-N-methyl-4-[(1R)-1-(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) 3.33 7.6 -41.09 2 3 1 33 296.847 5 ↓
Hi High (pH 8-9.5) 3.33 6.43 -5.28 1 3 0 28 295.839 5 ↓

Analogs

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Popular Name: 2-chloro-4-[(1S)-1-(ethylamino)ethyl]-N-methyl-N-(thiazol-4-ylmethyl)aniline 2-chloro-4-[(1S)-1-(ethylamino)e…

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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) 3.71 8.45 -40.07 2 3 1 33 310.874 6 ↓

Analogs

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Popular Name: 2-chloro-4-[(1R)-1-(ethylamino)ethyl]-N-methyl-N-(thiazol-4-ylmethyl)aniline 2-chloro-4-[(1R)-1-(ethylamino)e…

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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) 3.71 8.45 -39.67 2 3 1 33 310.874 6 ↓

Analogs

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Popular Name: 2-chloro-N-methyl-4-[(1S)-1-(propylamino)ethyl]-N-(thiazol-4-ylmethyl)aniline 2-chloro-N-methyl-4-[(1S)-1-(pro…

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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) 4.21 9.22 -40.83 2 3 1 33 324.901 7 ↓

Analogs

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Popular Name: 2-chloro-N-methyl-4-[(1R)-1-(propylamino)ethyl]-N-(thiazol-4-ylmethyl)aniline 2-chloro-N-methyl-4-[(1R)-1-(pro…

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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) 4.21 9.2 -40.48 2 3 1 33 324.901 7 ↓

Analogs

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Popular Name: 4-[(1S)-1-aminoethyl]-2-bromo-N-methyl-N-(thiazol-4-ylmethyl)aniline 4-[(1S)-1-aminoethyl]-2-bromo-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) 1.21 6.03 -46.9 3 3 1 44 327.271 4 ↓
Hi High (pH 8-9.5) 1.21 5.69 -5.25 2 3 0 42 326.263 4 ↓

Analogs

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Popular Name: 4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(thiazol-4-ylmethyl)aniline 4-[(1R)-1-aminoethyl]-2-bromo-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) 1.21 6.01 -46.38 3 3 1 44 327.271 4 ↓
Hi High (pH 8-9.5) 1.21 5.71 -4.83 2 3 0 42 326.263 4 ↓

Analogs

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Popular Name: 2-bromo-N-methyl-4-[(1S)-1-(methylamino)ethyl]-N-(thiazol-4-ylmethyl)aniline 2-bromo-N-methyl-4-[(1S)-1-(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) 3.46 7.78 -41.41 2 3 1 33 341.298 5 ↓
Hi High (pH 8-9.5) 3.46 6.61 -4.4 1 3 0 28 340.29 5 ↓

Analogs

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Popular Name: 2-bromo-N-methyl-4-[(1R)-1-(methylamino)ethyl]-N-(thiazol-4-ylmethyl)aniline 2-bromo-N-methyl-4-[(1R)-1-(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) 3.46 7.78 -41.05 2 3 1 33 341.298 5 ↓
Hi High (pH 8-9.5) 3.46 6.61 -5.21 1 3 0 28 340.29 5 ↓

Analogs

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Popular Name: 2-bromo-4-[(1S)-1-(ethylamino)ethyl]-N-methyl-N-(thiazol-4-ylmethyl)aniline 2-bromo-4-[(1S)-1-(ethylamino)et…

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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) 3.84 8.63 -40.01 2 3 1 33 355.325 6 ↓

Analogs

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Popular Name: 2-bromo-4-[(1R)-1-(ethylamino)ethyl]-N-methyl-N-(thiazol-4-ylmethyl)aniline 2-bromo-4-[(1R)-1-(ethylamino)et…

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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) 3.84 8.63 -39.61 2 3 1 33 355.325 6 ↓

Analogs

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Popular Name: 2-bromo-N-methyl-4-[(1S)-1-(propylamino)ethyl]-N-(thiazol-4-ylmethyl)aniline 2-bromo-N-methyl-4-[(1S)-1-(prop…

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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) 4.34 9.4 -40.79 2 3 1 33 369.352 7 ↓

Analogs

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Popular Name: 2-bromo-N-methyl-4-[(1R)-1-(propylamino)ethyl]-N-(thiazol-4-ylmethyl)aniline 2-bromo-N-methyl-4-[(1R)-1-(prop…

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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) 4.34 9.38 -40.36 2 3 1 33 369.352 7 ↓

Analogs

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Popular Name: 4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-[(2-methylthiazol-4-yl)methyl]aniline 4-[(1R)-1-aminoethyl]-2-chloro-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) 0.79 6.56 -48.63 3 3 1 44 296.847 4 ↓
Hi High (pH 8-9.5) 0.79 6.26 -4.46 2 3 0 42 295.839 4 ↓

Analogs

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Popular Name: 4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-[(2-methylthiazol-4-yl)methyl]aniline 4-[(1S)-1-aminoethyl]-2-chloro-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) 0.79 6.56 -47.97 3 3 1 44 296.847 4 ↓
Hi High (pH 8-9.5) 0.79 6.23 -4.67 2 3 0 42 295.839 4 ↓

Analogs

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Popular Name: 2-chloro-N-methyl-4-[(1R)-1-(methylamino)ethyl]-N-[(2-methylthiazol-4-yl)methyl]aniline 2-chloro-N-methyl-4-[(1R)-1-(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) 3.05 8.34 -43.15 2 3 1 33 310.874 5 ↓
Hi High (pH 8-9.5) 3.05 7.16 -4.29 1 3 0 28 309.866 5 ↓

Analogs

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Popular Name: 2-chloro-N-methyl-4-[(1S)-1-(methylamino)ethyl]-N-[(2-methylthiazol-4-yl)methyl]aniline 2-chloro-N-methyl-4-[(1S)-1-(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) 3.05 8.33 -42.49 2 3 1 33 310.874 5 ↓
Hi High (pH 8-9.5) 3.05 7.17 -3.85 1 3 0 28 309.866 5 ↓

Analogs

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Popular Name: 2-chloro-4-[(1S)-1-(ethylamino)ethyl]-N-methyl-N-[(2-methylthiazol-4-yl)methyl]aniline 2-chloro-4-[(1S)-1-(ethylamino)e…

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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 9.19 -40.57 2 3 1 33 324.901 6 ↓

Analogs

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Popular Name: 2-chloro-4-[(1R)-1-(ethylamino)ethyl]-N-methyl-N-[(2-methylthiazol-4-yl)methyl]aniline 2-chloro-4-[(1R)-1-(ethylamino)e…

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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 9.19 -40.22 2 3 1 33 324.901 6 ↓

Analogs

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Popular Name: 4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-[(2-methylthiazol-4-yl)methyl]aniline 4-[(1R)-1-aminoethyl]-2-bromo-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) 0.92 6.74 -48.33 3 3 1 44 341.298 4 ↓
Hi High (pH 8-9.5) 0.92 6.44 -4.37 2 3 0 42 340.29 4 ↓

Analogs

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Popular Name: 4-[(1S)-1-aminoethyl]-2-bromo-N-methyl-N-[(2-methylthiazol-4-yl)methyl]aniline 4-[(1S)-1-aminoethyl]-2-bromo-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) 0.92 6.74 -47.64 3 3 1 44 341.298 4 ↓
Hi High (pH 8-9.5) 0.92 6.4 -4.55 2 3 0 42 340.29 4 ↓

Analogs

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Popular Name: 2-bromo-N-methyl-4-[(1R)-1-(methylamino)ethyl]-N-[(2-methylthiazol-4-yl)methyl]aniline 2-bromo-N-methyl-4-[(1R)-1-(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) 3.18 8.51 -42.91 2 3 1 33 355.325 5 ↓
Hi High (pH 8-9.5) 3.18 7.34 -4.2 1 3 0 28 354.317 5 ↓

Analogs

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Popular Name: 2-bromo-N-methyl-4-[(1S)-1-(methylamino)ethyl]-N-[(2-methylthiazol-4-yl)methyl]aniline 2-bromo-N-methyl-4-[(1S)-1-(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) 3.18 8.51 -42.18 2 3 1 33 355.325 5 ↓
Hi High (pH 8-9.5) 3.18 7.34 -3.73 1 3 0 28 354.317 5 ↓

Analogs

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Popular Name: 2-bromo-4-[(1S)-1-(ethylamino)ethyl]-N-methyl-N-[(2-methylthiazol-4-yl)methyl]aniline 2-bromo-4-[(1S)-1-(ethylamino)et…

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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) 3.55 9.37 -40.33 2 3 1 33 369.352 6 ↓

Analogs

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Popular Name: 2-bromo-4-[(1R)-1-(ethylamino)ethyl]-N-methyl-N-[(2-methylthiazol-4-yl)methyl]aniline 2-bromo-4-[(1R)-1-(ethylamino)et…

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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) 3.55 9.36 -40.12 2 3 1 33 369.352 6 ↓

Analogs

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Popular Name: 4-methyl-N1-[(2-methylthiazol-4-yl)methyl]benzene-1,3-diamine 4-methyl-N1-[(2-methylthiazol-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) 1.94 3.51 -6.16 3 3 0 51 233.34 3 ↓

Analogs

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Popular Name: N1,4-dimethyl-N1-(thiazol-4-ylmethyl)benzene-1,3-diamine N1,4-dimethyl-N1-(thiazol-4-ylme…

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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) 2.47 4.59 -7.22 2 3 0 42 233.34 3 ↓

Analogs

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Popular Name: N1,4-dimethyl-N1-[(2-methylthiazol-4-yl)methyl]benzene-1,3-diamine N1,4-dimethyl-N1-[(2-methylthiaz…

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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) 2.18 5.33 -7.32 2 3 0 42 247.367 3 ↓

Analogs

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Popular Name: 2-amino-5-[methyl-[(2-methylthiazol-4-yl)methyl]amino]benzoic 2-amino-5-[methyl-[(2-methylthia…

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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 5.15 -52.09 2 5 -1 82 276.341 4 ↓

Analogs

44611285
44611285

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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) 1.68 6.18 -8.54 2 5 0 68 291.376 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.05 7.11 -8.27 2 5 0 68 305.403 6 ↓

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) 1.90 6.04 -7.16 2 5 0 68 291.376 5 ↓

Analogs

37302170
37302170
36804518
36804518
44609396
44609396
35045705
35045705
37301960
37301960

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Popular Name: ethyl ethyl

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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 6.97 -8.6 2 5 0 68 305.403 6 ↓

Analogs

42871770
42871770
44611277
44611277

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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) 2.08 5.24 -8.49 2 5 0 68 291.376 5 ↓

Analogs

44611291
44611291

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Popular Name: 5-amino-2-[methyl-[(2-methylthiazol-4-yl)methyl]amino]benzamide 5-amino-2-[methyl-[(2-methylthia…

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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) 0.14 2.47 -10.85 4 5 0 85 276.365 4 ↓

Analogs

44611289
44611289

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Popular Name: 2-amino-5-[methyl-[(2-methylthiazol-4-yl)methyl]amino]benzamide 2-amino-5-[methyl-[(2-methylthia…

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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) 0.55 1.52 -9.55 4 5 0 85 276.365 4 ↓

Analogs

37140081
37140081

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Popular Name: 4-bromo-N-methyl-N-[(2-methylthiazol-4-yl)methyl]-2-nitro-aniline 4-bromo-N-methyl-N-[(2-methylthi…

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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) 3.02 8.95 -6.74 0 5 0 62 342.218 4 ↓

Analogs

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Popular Name: 4-[(N-ethyl-3-methyl-anilino)methyl]thiazol-2-amine 4-[(N-ethyl-3-methyl-anilino)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) 3.02 6.41 -5.63 2 3 0 42 247.367 4 ↓
Lo Low (pH 4.5-6) 3.02 7.04 -29.52 3 3 1 43 248.375 4 ↓

Analogs

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Popular Name: 4-[(N-ethyl-3-methyl-anilino)methyl]thiazole-2-carboxylic 4-[(N-ethyl-3-methyl-anilino)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) 2.71 7.92 -47.09 0 4 -1 56 275.353 5 ↓

Analogs

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Popular Name: N-[4-[(2-chloroanilino)methyl]thiazol-2-yl]-N-ethyl-acetamide N-[4-[(2-chloroanilino)methyl]th…

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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) 2.96 7.51 -15.59 1 4 0 45 309.822 5 ↓

Analogs

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Popular Name: N-[4-[(2,5-dimethylanilino)methyl]thiazol-2-yl]-N-ethyl-acetamide N-[4-[(2,5-dimethylanilino)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) 3.15 8.39 -15.53 1 4 0 45 303.431 5 ↓

Analogs

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Popular Name: N-[4-(anilinomethyl)thiazol-2-yl]-N-ethyl-acetamide N-[4-(anilinomethyl)thiazol-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) 2.33 6.89 -15.36 1 4 0 45 275.377 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(3-bromoanilino)methyl]thiazol-2-yl]-N-ethyl-acetamide N-[4-[(3-bromoanilino)methyl]thi…

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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) 3.11 7.52 -14.95 1 4 0 45 354.273 5 ↓

Analogs

35018076
35018076

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Popular Name: N-ethyl-N-[4-[(3-methylanilino)methyl]thiazol-2-yl]acetamide N-ethyl-N-[4-[(3-methylanilino)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) 2.75 7.6 -15.4 1 4 0 45 289.404 5 ↓

Analogs

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Popular Name: N-ethyl-N-[4-[(2-methylanilino)methyl]thiazol-2-yl]acetamide N-ethyl-N-[4-[(2-methylanilino)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) 2.73 7.72 -15.32 1 4 0 45 289.404 5 ↓

Analogs

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Popular Name: N-ethyl-N-[4-[(3-methoxyanilino)methyl]thiazol-2-yl]acetamide N-ethyl-N-[4-[(3-methoxyanilino)…

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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) 2.36 6.23 -16.95 1 5 0 54 305.403 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[4-[(2-methoxyanilino)methyl]thiazol-2-yl]acetamide N-ethyl-N-[4-[(2-methoxyanilino)…

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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 6.34 -17.13 1 5 0 54 305.403 6 ↓

Parameters Provided:

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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 = 1356 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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