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Analogs

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Popular Name: (R)-(4-methylthiazol-2-yl)-(8-quinolyl)methanamine (R)-(4-methylthiazol-2-yl)-(8-qu…

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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 4.24 -10.7 2 3 0 52 255.346 2 ↓
Lo Low (pH 4.5-6) 1.74 4.57 -46.3 3 3 1 53 256.354 2 ↓

Analogs

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Popular Name: (S)-(4-methylthiazol-2-yl)-(8-quinolyl)methanamine (S)-(4-methylthiazol-2-yl)-(8-qu…

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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 4.24 -10.29 2 3 0 52 255.346 2 ↓
Lo Low (pH 4.5-6) 1.74 4.56 -45.95 3 3 1 53 256.354 2 ↓

Analogs

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Popular Name: (S)-8-quinolyl(thiazol-2-yl)methanamine (S)-8-quinolyl(thiazol-2-yl)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) 1.52 3.63 -8.34 2 3 0 52 241.319 2 ↓
Lo Low (pH 4.5-6) 1.52 3.94 -40.23 3 3 1 53 242.327 2 ↓

Analogs

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Popular Name: (R)-8-quinolyl(thiazol-2-yl)methanamine (R)-8-quinolyl(thiazol-2-yl)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) 1.52 3.62 -7.76 2 3 0 52 241.319 2 ↓
Lo Low (pH 4.5-6) 1.52 3.94 -40.87 3 3 1 53 242.327 2 ↓

Analogs

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Popular Name: (R)-(4,5-dimethylthiazol-2-yl)-(8-quinolyl)methanamine (R)-(4,5-dimethylthiazol-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) 1.96 4.97 -8.49 2 3 0 52 269.373 2 ↓
Lo Low (pH 4.5-6) 1.96 5.29 -40.64 3 3 1 53 270.381 2 ↓

Analogs

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Popular Name: (S)-(4,5-dimethylthiazol-2-yl)-(8-quinolyl)methanamine (S)-(4,5-dimethylthiazol-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) 1.96 4.97 -9.25 2 3 0 52 269.373 2 ↓
Lo Low (pH 4.5-6) 1.96 5.3 -39.88 3 3 1 53 270.381 2 ↓

Analogs

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Popular Name: (R)-(4-isopropylthiazol-2-yl)-(8-quinolyl)methanamine (R)-(4-isopropylthiazol-2-yl)-(8…

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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) 2.80 5.5 -9.75 2 3 0 52 283.4 3 ↓
Lo Low (pH 4.5-6) 2.80 5.84 -46.1 3 3 1 53 284.408 3 ↓

Analogs

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Popular Name: (S)-(4-isopropylthiazol-2-yl)-(8-quinolyl)methanamine (S)-(4-isopropylthiazol-2-yl)-(8…

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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) 2.80 5.52 -10.71 2 3 0 52 283.4 3 ↓
Lo Low (pH 4.5-6) 2.80 5.84 -45.73 3 3 1 53 284.408 3 ↓

Analogs

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Popular Name: (R)-(4-tert-butylthiazol-2-yl)-(8-quinolyl)methanamine (R)-(4-tert-butylthiazol-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) 3.46 6.07 -9.78 2 3 0 52 297.427 3 ↓
Lo Low (pH 4.5-6) 3.46 6.4 -45.63 3 3 1 53 298.435 3 ↓

Analogs

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Popular Name: (S)-(4-tert-butylthiazol-2-yl)-(8-quinolyl)methanamine (S)-(4-tert-butylthiazol-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) 3.46 6.07 -9.37 2 3 0 52 297.427 3 ↓
Lo Low (pH 4.5-6) 3.46 6.39 -45.18 3 3 1 53 298.435 3 ↓

Analogs

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Popular Name: (R)-(4-ethyl-5-methyl-thiazol-2-yl)-(8-quinolyl)methanamine (R)-(4-ethyl-5-methyl-thiazol-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.54 5.71 -10.37 2 3 0 52 283.4 3 ↓
Lo Low (pH 4.5-6) 2.54 6.04 -45.56 3 3 1 53 284.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(4-ethyl-5-methyl-thiazol-2-yl)-(8-quinolyl)methanamine (S)-(4-ethyl-5-methyl-thiazol-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.54 5.72 -11.26 2 3 0 52 283.4 3 ↓
Lo Low (pH 4.5-6) 2.54 6.04 -45.13 3 3 1 53 284.408 3 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(8-quinolyl)-1-thiazol-2-yl-methanamine (1S)-N-methyl-1-(8-quinolyl)-1-t…

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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) 1.89 4.6 -8.77 1 3 0 38 255.346 3 ↓
Mid Mid (pH 6-8) 1.89 5.58 -34.86 2 3 1 42 256.354 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(8-quinolyl)-1-thiazol-2-yl-methanamine (1R)-N-methyl-1-(8-quinolyl)-1-t…

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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) 1.89 4.82 -7.7 1 3 0 38 255.346 3 ↓
Mid Mid (pH 6-8) 1.89 5.82 -35.98 2 3 1 42 256.354 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(4-methylthiazol-2-yl)-1-(8-quinolyl)methanamine (1R)-N-methyl-1-(4-methylthiazol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.12 5.24 -10.47 1 3 0 38 269.373 3 ↓
Mid Mid (pH 6-8) 2.12 6.41 -40.83 2 3 1 42 270.381 3 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(4-methylthiazol-2-yl)-1-(8-quinolyl)methanamine (1S)-N-methyl-1-(4-methylthiazol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.12 5.4 -9.74 1 3 0 38 269.373 3 ↓
Mid Mid (pH 6-8) 2.12 6.22 -40.14 2 3 1 42 270.381 3 ↓

Analogs

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Popular Name: (1R)-1-(4,5-dimethylthiazol-2-yl)-N-methyl-1-(8-quinolyl)methanamine (1R)-1-(4,5-dimethylthiazol-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) 2.34 5.96 -9.78 1 3 0 38 283.4 3 ↓
Mid Mid (pH 6-8) 2.34 7.16 -35.78 2 3 1 42 284.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4,5-dimethylthiazol-2-yl)-N-methyl-1-(8-quinolyl)methanamine (1S)-1-(4,5-dimethylthiazol-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) 2.34 6.12 -8.7 1 3 0 38 283.4 3 ↓
Mid Mid (pH 6-8) 2.34 6.94 -34.53 2 3 1 42 284.408 3 ↓

Analogs

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Popular Name: (1R)-1-(4-ethyl-5-methyl-thiazol-2-yl)-N-methyl-1-(8-quinolyl)methanamine (1R)-1-(4-ethyl-5-methyl-thiazol…

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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) 2.91 6.72 -10.99 1 3 0 38 297.427 4 ↓
Mid Mid (pH 6-8) 2.91 7.89 -40.14 2 3 1 42 298.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-ethyl-5-methyl-thiazol-2-yl)-N-methyl-1-(8-quinolyl)methanamine (1S)-1-(4-ethyl-5-methyl-thiazol…

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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) 2.91 6.88 -10.16 1 3 0 38 297.427 4 ↓
Mid Mid (pH 6-8) 2.91 7.7 -39.49 2 3 1 42 298.435 4 ↓

Analogs

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Popular Name: (1R)-1-(4-isopropylthiazol-2-yl)-N-methyl-1-(8-quinolyl)methanamine (1R)-1-(4-isopropylthiazol-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) 3.17 6.52 -10.25 1 3 0 38 297.427 4 ↓
Mid Mid (pH 6-8) 3.17 7.68 -40.56 2 3 1 42 298.435 4 ↓

Analogs

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Popular Name: (1S)-1-(4-isopropylthiazol-2-yl)-N-methyl-1-(8-quinolyl)methanamine (1S)-1-(4-isopropylthiazol-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) 3.17 6.68 -9.53 1 3 0 38 297.427 4 ↓
Mid Mid (pH 6-8) 3.17 7.49 -39.95 2 3 1 42 298.435 4 ↓

Analogs

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Popular Name: N-[(S)-8-quinolyl(thiazol-2-yl)methyl]ethanamine N-[(S)-8-quinolyl(thiazol-2-yl)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) 2.27 5.52 -8.53 1 3 0 38 269.373 4 ↓
Mid Mid (pH 6-8) 2.27 6.64 -33.18 2 3 1 42 270.381 4 ↓

Analogs

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Popular Name: N-[(R)-8-quinolyl(thiazol-2-yl)methyl]ethanamine N-[(R)-8-quinolyl(thiazol-2-yl)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) 2.27 5.74 -7.4 1 3 0 38 269.373 4 ↓
Mid Mid (pH 6-8) 2.27 6.65 -33.74 2 3 1 42 270.381 4 ↓

Analogs

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Popular Name: N-[(S)-(4-methylthiazol-2-yl)-(8-quinolyl)methyl]ethanamine N-[(S)-(4-methylthiazol-2-yl)-(8…

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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) 2.49 6.17 -10.23 1 3 0 38 283.4 4 ↓
Mid Mid (pH 6-8) 2.49 7.06 -37.26 2 3 1 42 284.408 4 ↓

Analogs

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Popular Name: N-[(R)-(4-methylthiazol-2-yl)-(8-quinolyl)methyl]ethanamine N-[(R)-(4-methylthiazol-2-yl)-(8…

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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) 2.49 6.32 -9.42 1 3 0 38 283.4 4 ↓
Mid Mid (pH 6-8) 2.49 7.24 -38 2 3 1 42 284.408 4 ↓

Analogs

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Popular Name: N-[(S)-(4,5-dimethylthiazol-2-yl)-(8-quinolyl)methyl]ethanamine N-[(S)-(4,5-dimethylthiazol-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) 2.71 6.88 -9.51 1 3 0 38 297.427 4 ↓
Mid Mid (pH 6-8) 2.71 7.77 -32.12 2 3 1 42 298.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(4,5-dimethylthiazol-2-yl)-(8-quinolyl)methyl]ethanamine N-[(R)-(4,5-dimethylthiazol-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) 2.71 7.09 -8.27 1 3 0 38 297.427 4 ↓
Mid Mid (pH 6-8) 2.71 8 -33.46 2 3 1 42 298.435 4 ↓

Analogs

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Popular Name: N-[(S)-8-quinolyl(thiazol-2-yl)methyl]propan-1-amine N-[(S)-8-quinolyl(thiazol-2-yl)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) 2.77 6.28 -8.51 1 3 0 38 283.4 5 ↓
Mid Mid (pH 6-8) 2.77 7.39 -33.63 2 3 1 42 284.408 5 ↓

Analogs

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Popular Name: N-[(R)-8-quinolyl(thiazol-2-yl)methyl]propan-1-amine N-[(R)-8-quinolyl(thiazol-2-yl)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) 2.77 6.52 -7.25 1 3 0 38 283.4 5 ↓
Mid Mid (pH 6-8) 2.77 7.4 -34.25 2 3 1 42 284.408 5 ↓

Analogs

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Popular Name: N-[(S)-(4-methylthiazol-2-yl)-(8-quinolyl)methyl]propan-1-amine N-[(S)-(4-methylthiazol-2-yl)-(8…

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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) 2.99 6.91 -10.17 1 3 0 38 297.427 5 ↓
Mid Mid (pH 6-8) 2.99 7.97 -38.27 2 3 1 42 298.435 5 ↓

Analogs

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Popular Name: N-[(R)-(4-methylthiazol-2-yl)-(8-quinolyl)methyl]propan-1-amine N-[(R)-(4-methylthiazol-2-yl)-(8…

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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) 2.99 7.06 -9.51 1 3 0 38 297.427 5 ↓
Mid Mid (pH 6-8) 2.99 7.99 -38.6 2 3 1 42 298.435 5 ↓

Analogs

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Popular Name: N-[(S)-8-quinolyl(thiazol-2-yl)methyl]propan-2-amine N-[(S)-8-quinolyl(thiazol-2-yl)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) 2.57 5.97 -8.37 1 3 0 38 283.4 4 ↓
Mid Mid (pH 6-8) 2.57 7.15 -31.33 2 3 1 42 284.408 4 ↓

Analogs

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Popular Name: N-[(R)-8-quinolyl(thiazol-2-yl)methyl]propan-2-amine N-[(R)-8-quinolyl(thiazol-2-yl)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) 2.57 6.41 -7.32 1 3 0 38 283.4 4 ↓
Mid Mid (pH 6-8) 2.57 7.17 -31.8 2 3 1 42 284.408 4 ↓

Analogs

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Popular Name: N-[(R)-(4-methylthiazol-2-yl)-(8-quinolyl)methyl]propan-2-amine N-[(R)-(4-methylthiazol-2-yl)-(8…

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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) 2.79 6.85 -10.04 1 3 0 38 297.427 4 ↓
Mid Mid (pH 6-8) 2.79 7.75 -36.53 2 3 1 42 298.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(4-methylthiazol-2-yl)-(8-quinolyl)methyl]propan-2-amine N-[(S)-(4-methylthiazol-2-yl)-(8…

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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) 2.79 6.96 -9.27 1 3 0 38 297.427 4 ↓
Mid Mid (pH 6-8) 2.79 7.55 -35.79 2 3 1 42 298.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(S)-8-quinolyl(thiazol-2-yl)methyl]ethanamine 2-methoxy-N-[(S)-8-quinolyl(thia…

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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) 1.88 4.67 -9.04 1 4 0 47 299.399 6 ↓
Lo Low (pH 4.5-6) 1.88 5.77 -31.4 2 4 1 52 300.407 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(R)-8-quinolyl(thiazol-2-yl)methyl]ethanamine 2-methoxy-N-[(R)-8-quinolyl(thia…

Find On: PubMed — Wikipedia — Google

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) 1.88 4.91 -8.83 1 4 0 47 299.399 6 ↓
Lo Low (pH 4.5-6) 1.88 5.78 -34.01 2 4 1 52 300.407 6 ↓

Parameters Provided:

ring.id = 361142
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 = 361142 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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