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Analogs

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Popular Name: 4-(chloromethyl)-2-(6-quinolyl)thiazole 4-(chloromethyl)-2-(6-quinolyl)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) 3.58 6.99 -8.82 0 2 0 26 260.749 2 ↓

Analogs

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Popular Name: 2-(6-quinolyl)thiazole-4-carboxylic 2-(6-quinolyl)thiazole-4-carboxylic

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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) 2.58 6.2 -57.84 0 4 -1 66 255.278 2 ↓

Analogs

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Popular Name: 2-[2-(6-quinolyl)thiazol-4-yl]acetic 2-[2-(6-quinolyl)thiazol-4-yl]ac…

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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) 2.43 7.25 -56.05 0 4 -1 66 269.305 3 ↓

Analogs

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Popular Name: 2-(6-quinolyl)thiazole-4-carbaldehyde 2-(6-quinolyl)thiazole-4-carbald…

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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 5.33 -17.08 0 3 0 43 240.287 2 ↓

Analogs

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Popular Name: 2-(6-quinolyl)thiazole-5-carboxylic 2-(6-quinolyl)thiazole-5-carboxylic

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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) 2.58 6.48 -48.33 0 4 -1 66 255.278 2 ↓

Analogs

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Popular Name: 2-(6-quinolyl)thiazole-5-carbaldehyde 2-(6-quinolyl)thiazole-5-carbald…

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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 5.61 -11.34 0 3 0 43 240.287 2 ↓

Analogs

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Popular Name: 1-[4-methyl-2-(6-quinolyl)thiazol-5-yl]ethanone 1-[4-methyl-2-(6-quinolyl)thiazo…

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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) 3.13 6.95 -9.62 0 3 0 43 268.341 2 ↓

Analogs

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Popular Name: 1-[2-(6-quinolyl)thiazol-5-yl]ethanone 1-[2-(6-quinolyl)thiazol-5-yl]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) 2.91 6.42 -10.35 0 3 0 43 254.314 2 ↓

Analogs

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Popular Name: (1R)-1-[4-methyl-2-(6-quinolyl)thiazol-5-yl]ethanamine (1R)-1-[4-methyl-2-(6-quinolyl)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) 1.09 5.18 -49.39 3 3 1 53 270.381 2 ↓
Mid Mid (pH 6-8) 1.09 4.85 -8.09 2 3 0 52 269.373 2 ↓

Analogs

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Popular Name: (1S)-1-[4-methyl-2-(6-quinolyl)thiazol-5-yl]ethanamine (1S)-1-[4-methyl-2-(6-quinolyl)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) 1.09 5.2 -49.12 3 3 1 53 270.381 2 ↓
Mid Mid (pH 6-8) 1.09 4.86 -8.15 2 3 0 52 269.373 2 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[4-methyl-2-(6-quinolyl)thiazol-5-yl]ethanamine (1R)-N-methyl-1-[4-methyl-2-(6-q…

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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 6.89 -43.81 2 3 1 42 284.408 3 ↓
Hi High (pH 8-9.5) 3.35 5.63 -7.91 1 3 0 38 283.4 3 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-[4-methyl-2-(6-quinolyl)thiazol-5-yl]ethanamine (1S)-N-methyl-1-[4-methyl-2-(6-q…

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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 6.91 -43.63 2 3 1 42 284.408 3 ↓
Hi High (pH 8-9.5) 3.35 5.61 -7.21 1 3 0 38 283.4 3 ↓

Analogs

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Popular Name: (1S)-N-ethyl-1-[4-methyl-2-(6-quinolyl)thiazol-5-yl]ethanamine (1S)-N-ethyl-1-[4-methyl-2-(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) 3.72 7.74 -42.43 2 3 1 42 298.435 4 ↓
Hi High (pH 8-9.5) 3.72 6.56 -7.75 1 3 0 38 297.427 4 ↓

Analogs

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Popular Name: (1R)-N-ethyl-1-[4-methyl-2-(6-quinolyl)thiazol-5-yl]ethanamine (1R)-N-ethyl-1-[4-methyl-2-(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) 3.72 7.76 -42.28 2 3 1 42 298.435 4 ↓
Hi High (pH 8-9.5) 3.72 6.54 -7.07 1 3 0 38 297.427 4 ↓

Analogs

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Popular Name: [2-(6-quinolyl)thiazol-5-yl]methanamine [2-(6-quinolyl)thiazol-5-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) 2.19 4.02 -51.71 3 3 1 53 242.327 2 ↓
Mid Mid (pH 6-8) 2.19 3.62 -7.9 2 3 0 52 241.319 2 ↓

Analogs

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Popular Name: N-methyl-1-[2-(6-quinolyl)thiazol-5-yl]methanamine N-methyl-1-[2-(6-quinolyl)thiazo…

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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 5.9 -45.84 2 3 1 42 256.354 3 ↓
Hi High (pH 8-9.5) 2.57 4.45 -7.12 1 3 0 38 255.346 3 ↓

Analogs

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Popular Name: N-[[2-(6-quinolyl)thiazol-5-yl]methyl]ethanamine N-[[2-(6-quinolyl)thiazol-5-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) 2.94 6.76 -44.98 2 3 1 42 270.381 4 ↓
Hi High (pH 8-9.5) 2.94 5.38 -6.92 1 3 0 38 269.373 4 ↓

Analogs

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Popular Name: N-[[2-(6-quinolyl)thiazol-5-yl]methyl]propan-1-amine N-[[2-(6-quinolyl)thiazol-5-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) 3.44 7.51 -45.79 2 3 1 42 284.408 5 ↓
Hi High (pH 8-9.5) 3.44 6.15 -6.83 1 3 0 38 283.4 5 ↓

Analogs

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Popular Name: N-[[2-(6-quinolyl)thiazol-5-yl]methyl]propan-2-amine N-[[2-(6-quinolyl)thiazol-5-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) 3.24 7.29 -43.05 2 3 1 42 284.408 4 ↓
Hi High (pH 8-9.5) 3.24 6.06 -6.8 1 3 0 38 283.4 4 ↓

Analogs

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Popular Name: (1S)-1-[2-(6-quinolyl)thiazol-5-yl]ethanamine (1S)-1-[2-(6-quinolyl)thiazol-5-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.87 4.7 -49.32 3 3 1 53 256.354 2 ↓
Mid Mid (pH 6-8) 0.87 4.36 -7.73 2 3 0 52 255.346 2 ↓

Analogs

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Popular Name: (1R)-1-[2-(6-quinolyl)thiazol-5-yl]ethanamine (1R)-1-[2-(6-quinolyl)thiazol-5-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.87 4.7 -49.33 3 3 1 53 256.354 2 ↓
Mid Mid (pH 6-8) 0.87 4.34 -7.62 2 3 0 52 255.346 2 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-[2-(6-quinolyl)thiazol-5-yl]ethanamine (1S)-N-methyl-1-[2-(6-quinolyl)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) 3.12 6.41 -43.76 2 3 1 42 270.381 3 ↓
Hi High (pH 8-9.5) 3.12 5.1 -6.92 1 3 0 38 269.373 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[2-(6-quinolyl)thiazol-5-yl]ethanamine (1R)-N-methyl-1-[2-(6-quinolyl)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) 3.12 6.4 -43.72 2 3 1 42 270.381 3 ↓
Hi High (pH 8-9.5) 3.12 5.14 -7.51 1 3 0 38 269.373 3 ↓

Analogs

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Popular Name: (1S)-N-ethyl-1-[2-(6-quinolyl)thiazol-5-yl]ethanamine (1S)-N-ethyl-1-[2-(6-quinolyl)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) 3.50 7.26 -42.46 2 3 1 42 284.408 4 ↓
Hi High (pH 8-9.5) 3.50 6.07 -7.34 1 3 0 38 283.4 4 ↓

Analogs

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Popular Name: (1R)-N-ethyl-1-[2-(6-quinolyl)thiazol-5-yl]ethanamine (1R)-N-ethyl-1-[2-(6-quinolyl)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) 3.50 7.26 -42.44 2 3 1 42 284.408 4 ↓
Hi High (pH 8-9.5) 3.50 6.04 -6.68 1 3 0 38 283.4 4 ↓

Analogs

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Popular Name: N-[(1S)-1-[2-(6-quinolyl)thiazol-5-yl]ethyl]propan-1-amine N-[(1S)-1-[2-(6-quinolyl)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) 4.00 8.03 -43.09 2 3 1 42 298.435 5 ↓
Hi High (pH 8-9.5) 4.00 6.83 -7.19 1 3 0 38 297.427 5 ↓

Analogs

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Popular Name: N-[(1R)-1-[2-(6-quinolyl)thiazol-5-yl]ethyl]propan-1-amine N-[(1R)-1-[2-(6-quinolyl)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) 4.00 8.03 -43.14 2 3 1 42 298.435 5 ↓
Hi High (pH 8-9.5) 4.00 6.79 -6.57 1 3 0 38 297.427 5 ↓

Analogs

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Popular Name: [2-(6-quinolyl)thiazol-4-yl]methanamine [2-(6-quinolyl)thiazol-4-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) 2.19 3.76 -47.57 3 3 1 53 242.327 2 ↓
Hi High (pH 8-9.5) 2.19 3.36 -9.2 2 3 0 52 241.319 2 ↓

Analogs

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Popular Name: N-methyl-1-[2-(6-quinolyl)thiazol-4-yl]methanamine N-methyl-1-[2-(6-quinolyl)thiazo…

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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 5.64 -42.36 2 3 1 42 256.354 3 ↓
Hi High (pH 8-9.5) 2.57 4.18 -7.61 1 3 0 38 255.346 3 ↓

Analogs

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Popular Name: N-[[2-(6-quinolyl)thiazol-4-yl]methyl]ethanamine N-[[2-(6-quinolyl)thiazol-4-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) 2.94 6.5 -41.52 2 3 1 42 270.381 4 ↓
Hi High (pH 8-9.5) 2.94 5.12 -7.4 1 3 0 38 269.373 4 ↓

Analogs

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Popular Name: N-[[2-(6-quinolyl)thiazol-4-yl]methyl]propan-1-amine N-[[2-(6-quinolyl)thiazol-4-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) 3.44 7.25 -42.25 2 3 1 42 284.408 5 ↓
Hi High (pH 8-9.5) 3.44 5.88 -7.26 1 3 0 38 283.4 5 ↓

Analogs

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Popular Name: N-[[2-(6-quinolyl)thiazol-4-yl]methyl]propan-2-amine N-[[2-(6-quinolyl)thiazol-4-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) 3.24 7.02 -39.65 2 3 1 42 284.408 4 ↓
Hi High (pH 8-9.5) 3.24 5.8 -7.16 1 3 0 38 283.4 4 ↓

Analogs

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Popular Name: (1R)-1-[4-methyl-2-(6-quinolyl)thiazol-5-yl]ethanol (1R)-1-[4-methyl-2-(6-quinolyl)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) 2.79 4.59 -10.23 1 3 0 46 270.357 2 ↓

Analogs

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Popular Name: (1S)-1-[4-methyl-2-(6-quinolyl)thiazol-5-yl]ethanol (1S)-1-[4-methyl-2-(6-quinolyl)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) 2.79 4.6 -10.27 1 3 0 46 270.357 2 ↓

Analogs

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Popular Name: (1S)-1-[2-(6-quinolyl)thiazol-5-yl]ethanol (1S)-1-[2-(6-quinolyl)thiazol-5-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.57 4.07 -9.75 1 3 0 46 256.33 2 ↓

Analogs

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Popular Name: (1R)-1-[2-(6-quinolyl)thiazol-5-yl]ethanol (1R)-1-[2-(6-quinolyl)thiazol-5-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.57 4.07 -9.74 1 3 0 46 256.33 2 ↓

Analogs

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Popular Name: N-methyl-1-[4-methyl-2-(6-quinolyl)thiazol-5-yl]methanamine N-methyl-1-[4-methyl-2-(6-quinol…

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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 6.4 -46 2 3 1 42 270.381 3 ↓
Hi High (pH 8-9.5) 2.79 4.96 -7.68 1 3 0 38 269.373 3 ↓

Analogs

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Popular Name: N-[[4-methyl-2-(6-quinolyl)thiazol-5-yl]methyl]propan-2-amine N-[[4-methyl-2-(6-quinolyl)thiaz…

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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 7.79 -42.94 2 3 1 42 298.435 4 ↓
Hi High (pH 8-9.5) 3.46 6.59 -7.42 1 3 0 38 297.427 4 ↓

Analogs

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Popular Name: 2-methyl-N-[[2-(6-quinolyl)thiazol-5-yl]methyl]propan-2-amine 2-methyl-N-[[2-(6-quinolyl)thiaz…

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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) 3.75 7.71 -41.14 2 3 1 42 298.435 4 ↓
Hi High (pH 8-9.5) 3.75 6.46 -6.64 1 3 0 38 297.427 4 ↓

Analogs

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Popular Name: 2-methyl-N-[[2-(6-quinolyl)thiazol-5-yl]methyl]propan-1-amine 2-methyl-N-[[2-(6-quinolyl)thiaz…

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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 8.2 -45.78 2 3 1 42 298.435 5 ↓
Hi High (pH 8-9.5) 3.69 6.98 -6.66 1 3 0 38 297.427 5 ↓

Analogs

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Popular Name: 2-[2-(6-quinolyl)thiazol-4-yl]acetonitrile 2-[2-(6-quinolyl)thiazol-4-yl]ac…

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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) 2.97 6.91 -15.41 0 3 0 50 251.314 2 ↓

Analogs

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Popular Name: 2-[2-(6-quinolyl)thiazol-4-yl]ethanamine 2-[2-(6-quinolyl)thiazol-4-yl]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) 1.99 4.57 -47.9 3 3 1 53 256.354 3 ↓

Parameters Provided:

ring.id = 274514
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 = 274514 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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