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Analogs

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Popular Name: (R)-(4-methylthiazol-2-yl)-(6-quinolyl)methanamine (R)-(4-methylthiazol-2-yl)-(6-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) 1.76 4.03 -8.6 2 3 0 52 255.346 2 ↓
Mid Mid (pH 6-8) 1.76 4.37 -50.09 3 3 1 53 256.354 2 ↓

Analogs

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Popular Name: (S)-(4-methylthiazol-2-yl)-(6-quinolyl)methanamine (S)-(4-methylthiazol-2-yl)-(6-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) 1.76 4.04 -8.94 2 3 0 52 255.346 2 ↓
Mid Mid (pH 6-8) 1.76 4.37 -50.12 3 3 1 53 256.354 2 ↓

Analogs

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Popular Name: (S)-6-quinolyl(thiazol-2-yl)methanamine (S)-6-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) 1.54 3.43 -8.88 2 3 0 52 241.319 2 ↓
Mid Mid (pH 6-8) 1.54 3.74 -48.56 3 3 1 53 242.327 2 ↓

Analogs

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Popular Name: (R)-6-quinolyl(thiazol-2-yl)methanamine (R)-6-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) 1.54 3.42 -9.25 2 3 0 52 241.319 2 ↓
Mid Mid (pH 6-8) 1.54 3.74 -48.59 3 3 1 53 242.327 2 ↓

Analogs

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Popular Name: (R)-(4,5-dimethylthiazol-2-yl)-(6-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) 1.99 4.77 -9.19 2 3 0 52 269.373 2 ↓
Mid Mid (pH 6-8) 1.99 5.09 -48.13 3 3 1 53 270.381 2 ↓

Analogs

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Popular Name: (S)-(4,5-dimethylthiazol-2-yl)-(6-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) 1.99 4.77 -9.63 2 3 0 52 269.373 2 ↓
Mid Mid (pH 6-8) 1.99 5.1 -48.02 3 3 1 53 270.381 2 ↓

Analogs

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Popular Name: (R)-(4-isopropylthiazol-2-yl)-(6-quinolyl)methanamine (R)-(4-isopropylthiazol-2-yl)-(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) 2.82 5.31 -8.63 2 3 0 52 283.4 3 ↓
Mid Mid (pH 6-8) 2.82 5.65 -49.99 3 3 1 53 284.408 3 ↓

Analogs

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Popular Name: (S)-(4-isopropylthiazol-2-yl)-(6-quinolyl)methanamine (S)-(4-isopropylthiazol-2-yl)-(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) 2.82 5.31 -8.36 2 3 0 52 283.4 3 ↓
Mid Mid (pH 6-8) 2.82 5.65 -50.03 3 3 1 53 284.408 3 ↓

Analogs

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Popular Name: (R)-(4-tert-butylthiazol-2-yl)-(6-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) 3.49 5.86 -7.95 2 3 0 52 297.427 3 ↓
Mid Mid (pH 6-8) 3.49 6.2 -49.89 3 3 1 53 298.435 3 ↓

Analogs

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Popular Name: (S)-(4-tert-butylthiazol-2-yl)-(6-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) 3.49 5.87 -8.23 2 3 0 52 297.427 3 ↓
Mid Mid (pH 6-8) 3.49 6.2 -49.88 3 3 1 53 298.435 3 ↓

Analogs

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Popular Name: (R)-(4-ethyl-5-methyl-thiazol-2-yl)-(6-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) 2.56 5.51 -8.85 2 3 0 52 283.4 3 ↓
Mid Mid (pH 6-8) 2.56 5.85 -49.34 3 3 1 53 284.408 3 ↓

Analogs

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Popular Name: (S)-(4-ethyl-5-methyl-thiazol-2-yl)-(6-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) 2.56 5.52 -9.17 2 3 0 52 283.4 3 ↓
Mid Mid (pH 6-8) 2.56 5.85 -49.4 3 3 1 53 284.408 3 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(6-quinolyl)-1-thiazol-2-yl-methanamine (1S)-N-methyl-1-(6-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) 1.92 4.29 -9.44 1 3 0 38 255.346 3 ↓
Mid Mid (pH 6-8) 1.92 5.47 -42.67 2 3 1 42 256.354 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(6-quinolyl)-1-thiazol-2-yl-methanamine (1R)-N-methyl-1-(6-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) 1.92 4.33 -7.96 1 3 0 38 255.346 3 ↓
Mid Mid (pH 6-8) 1.92 5.55 -43.2 2 3 1 42 256.354 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(4-methylthiazol-2-yl)-1-(6-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) 2.14 4.95 -8.32 1 3 0 38 269.373 3 ↓
Mid Mid (pH 6-8) 2.14 6.14 -44.05 2 3 1 42 270.381 3 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(4-methylthiazol-2-yl)-1-(6-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) 2.14 4.98 -8.27 1 3 0 38 269.373 3 ↓
Mid Mid (pH 6-8) 2.14 6.1 -43.79 2 3 1 42 270.381 3 ↓

Analogs

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Popular Name: (1R)-1-(4,5-dimethylthiazol-2-yl)-N-methyl-1-(6-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) 2.36 5.66 -9.92 1 3 0 38 283.4 3 ↓
Mid Mid (pH 6-8) 2.36 6.9 -42.71 2 3 1 42 284.408 3 ↓

Analogs

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Popular Name: (1S)-1-(4,5-dimethylthiazol-2-yl)-N-methyl-1-(6-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) 2.36 5.7 -9.51 1 3 0 38 283.4 3 ↓
Mid Mid (pH 6-8) 2.36 6.82 -42.15 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-(6-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) 2.93 6.41 -8.59 1 3 0 38 297.427 4 ↓
Mid Mid (pH 6-8) 2.93 7.62 -43.3 2 3 1 42 298.435 4 ↓

Analogs

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Popular Name: (1S)-1-(4-ethyl-5-methyl-thiazol-2-yl)-N-methyl-1-(6-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) 2.93 6.45 -8.4 1 3 0 38 297.427 4 ↓
Mid Mid (pH 6-8) 2.93 7.58 -43.04 2 3 1 42 298.435 4 ↓

Analogs

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Popular Name: (1R)-1-(4-isopropylthiazol-2-yl)-N-methyl-1-(6-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) 3.20 6.21 -7.99 1 3 0 38 297.427 4 ↓
Mid Mid (pH 6-8) 3.20 7.41 -43.93 2 3 1 42 298.435 4 ↓

Analogs

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Popular Name: (1S)-1-(4-isopropylthiazol-2-yl)-N-methyl-1-(6-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) 3.20 6.25 -7.98 1 3 0 38 297.427 4 ↓
Mid Mid (pH 6-8) 3.20 7.38 -43.62 2 3 1 42 298.435 4 ↓

Analogs

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Popular Name: N-[(S)-6-quinolyl(thiazol-2-yl)methyl]ethanamine N-[(S)-6-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) 2.29 5.22 -9.29 1 3 0 38 269.373 4 ↓
Mid Mid (pH 6-8) 2.29 6.39 -41.43 2 3 1 42 270.381 4 ↓

Analogs

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Popular Name: N-[(R)-6-quinolyl(thiazol-2-yl)methyl]ethanamine N-[(R)-6-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) 2.29 5.27 -7.72 1 3 0 38 269.373 4 ↓
Mid Mid (pH 6-8) 2.29 6.39 -41.51 2 3 1 42 270.381 4 ↓

Analogs

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Popular Name: N-[(S)-(4-methylthiazol-2-yl)-(6-quinolyl)methyl]ethanamine N-[(S)-(4-methylthiazol-2-yl)-(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) 2.52 5.85 -7.99 1 3 0 38 283.4 4 ↓
Mid Mid (pH 6-8) 2.52 6.95 -41.48 2 3 1 42 284.408 4 ↓

Analogs

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Popular Name: N-[(R)-(4-methylthiazol-2-yl)-(6-quinolyl)methyl]ethanamine N-[(R)-(4-methylthiazol-2-yl)-(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) 2.52 5.9 -7.96 1 3 0 38 283.4 4 ↓
Mid Mid (pH 6-8) 2.52 6.98 -41.69 2 3 1 42 284.408 4 ↓

Analogs

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Popular Name: N-[(S)-(4,5-dimethylthiazol-2-yl)-(6-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) 2.74 6.57 -9.7 1 3 0 38 297.427 4 ↓
Mid Mid (pH 6-8) 2.74 7.67 -40.37 2 3 1 42 298.435 4 ↓

Analogs

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Popular Name: N-[(R)-(4,5-dimethylthiazol-2-yl)-(6-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) 2.74 6.63 -8.04 1 3 0 38 297.427 4 ↓
Mid Mid (pH 6-8) 2.74 7.73 -40.94 2 3 1 42 298.435 4 ↓

Analogs

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Popular Name: N-[(S)-6-quinolyl(thiazol-2-yl)methyl]propan-1-amine N-[(S)-6-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) 2.80 6.05 -9.09 1 3 0 38 283.4 5 ↓
Mid Mid (pH 6-8) 2.80 7.14 -41.97 2 3 1 42 284.408 5 ↓

Analogs

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Popular Name: N-[(R)-6-quinolyl(thiazol-2-yl)methyl]propan-1-amine N-[(R)-6-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) 2.80 6.14 -8.37 1 3 0 38 283.4 5 ↓
Mid Mid (pH 6-8) 2.80 7.14 -42 2 3 1 42 284.408 5 ↓

Analogs

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Popular Name: N-[(S)-(4-methylthiazol-2-yl)-(6-quinolyl)methyl]propan-1-amine N-[(S)-(4-methylthiazol-2-yl)-(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) 3.02 6.61 -7.92 1 3 0 38 297.427 5 ↓
Mid Mid (pH 6-8) 3.02 7.73 -42.29 2 3 1 42 298.435 5 ↓

Analogs

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Popular Name: N-[(R)-(4-methylthiazol-2-yl)-(6-quinolyl)methyl]propan-1-amine N-[(R)-(4-methylthiazol-2-yl)-(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) 3.02 6.65 -7.83 1 3 0 38 297.427 5 ↓
Mid Mid (pH 6-8) 3.02 7.73 -42.25 2 3 1 42 298.435 5 ↓

Analogs

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Popular Name: N-[(S)-6-quinolyl(thiazol-2-yl)methyl]propan-2-amine N-[(S)-6-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) 2.59 6.91 -38.6 2 3 1 42 284.408 4 ↓
Mid Mid (pH 6-8) 2.59 5.76 -8.82 1 3 0 38 283.4 4 ↓

Analogs

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Popular Name: N-[(R)-6-quinolyl(thiazol-2-yl)methyl]propan-2-amine N-[(R)-6-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) 2.59 6.91 -38.66 2 3 1 42 284.408 4 ↓
Mid Mid (pH 6-8) 2.59 6.04 -8.23 1 3 0 38 283.4 4 ↓

Analogs

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Popular Name: N-[(R)-(4-methylthiazol-2-yl)-(6-quinolyl)methyl]propan-2-amine N-[(R)-(4-methylthiazol-2-yl)-(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) 2.81 7.5 -39.42 2 3 1 42 298.435 4 ↓
Mid Mid (pH 6-8) 2.81 6.44 -8.26 1 3 0 38 297.427 4 ↓

Analogs

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Popular Name: N-[(S)-(4-methylthiazol-2-yl)-(6-quinolyl)methyl]propan-2-amine N-[(S)-(4-methylthiazol-2-yl)-(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) 2.81 7.45 -39 2 3 1 42 298.435 4 ↓
Mid Mid (pH 6-8) 2.81 6.56 -8.09 1 3 0 38 297.427 4 ↓

Analogs

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Popular Name: 2-methoxy-N-[(S)-6-quinolyl(thiazol-2-yl)methyl]ethanamine 2-methoxy-N-[(S)-6-quinolyl(thia…

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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 4.44 -9.72 1 4 0 47 299.399 6 ↓
Lo Low (pH 4.5-6) 1.90 5.52 -39.69 2 4 1 52 300.407 6 ↓

Analogs

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Popular Name: 2-methoxy-N-[(R)-6-quinolyl(thiazol-2-yl)methyl]ethanamine 2-methoxy-N-[(R)-6-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) 1.90 4.53 -10.42 1 4 0 47 299.399 6 ↓
Lo Low (pH 4.5-6) 1.90 5.52 -42.87 2 4 1 52 300.407 6 ↓

Parameters Provided:

ring.id = 361146
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 = 361146 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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