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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(8-quinolyl)thiazole-4-carboxylic 2-(8-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) 2.56 6.66 -62.68 0 4 -1 66 255.278 2 ↓

Analogs

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Popular Name: 2-[2-(8-quinolyl)thiazol-4-yl]acetic 2-[2-(8-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) 2.41 7.69 -60.6 0 4 -1 66 269.305 3 ↓

Analogs

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Popular Name: 4-(chloromethyl)-2-(8-quinolyl)thiazole 4-(chloromethyl)-2-(8-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) 3.56 7.43 -10.31 0 2 0 26 260.749 2 ↓

Analogs

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Popular Name: 2-(8-quinolyl)thiazole-5-carboxylic 2-(8-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) 2.56 7 -57.16 0 4 -1 66 255.278 2 ↓

Analogs

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Popular Name: 2-(8-quinolyl)thiazole-5-carbaldehyde 2-(8-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) 2.77 6.13 -14.35 0 3 0 43 240.287 2 ↓

Analogs

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Popular Name: 1-[4-methyl-2-(8-quinolyl)thiazol-5-yl]ethanone 1-[4-methyl-2-(8-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) 3.10 7.45 -14.32 0 3 0 43 268.341 2 ↓

Analogs

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Popular Name: 1-[2-(8-quinolyl)thiazol-5-yl]ethanone 1-[2-(8-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) 2.88 6.92 -15.05 0 3 0 43 254.314 2 ↓

Analogs

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Popular Name: (1R)-1-[4-methyl-2-(8-quinolyl)thiazol-5-yl]ethanamine (1R)-1-[4-methyl-2-(8-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) 1.07 5.66 -50.01 3 3 1 53 270.381 2 ↓
Mid Mid (pH 6-8) 1.07 5.34 -12.33 2 3 0 52 269.373 2 ↓

Analogs

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Popular Name: (1S)-1-[4-methyl-2-(8-quinolyl)thiazol-5-yl]ethanamine (1S)-1-[4-methyl-2-(8-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) 1.07 5.68 -49.8 3 3 1 53 270.381 2 ↓
Mid Mid (pH 6-8) 1.07 5.35 -11.18 2 3 0 52 269.373 2 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[4-methyl-2-(8-quinolyl)thiazol-5-yl]ethanamine (1R)-N-methyl-1-[4-methyl-2-(8-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) 3.32 7.36 -44.51 2 3 1 42 284.408 3 ↓
Hi High (pH 8-9.5) 3.32 6.1 -12.05 1 3 0 38 283.4 3 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-[4-methyl-2-(8-quinolyl)thiazol-5-yl]ethanamine (1S)-N-methyl-1-[4-methyl-2-(8-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) 3.32 7.38 -44.35 2 3 1 42 284.408 3 ↓
Hi High (pH 8-9.5) 3.32 6.09 -11.07 1 3 0 38 283.4 3 ↓

Analogs

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Popular Name: (1S)-N-ethyl-1-[4-methyl-2-(8-quinolyl)thiazol-5-yl]ethanamine (1S)-N-ethyl-1-[4-methyl-2-(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) 3.70 8.22 -43.02 2 3 1 42 298.435 4 ↓
Hi High (pH 8-9.5) 3.70 7.03 -11.8 1 3 0 38 297.427 4 ↓

Analogs

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Popular Name: (1R)-N-ethyl-1-[4-methyl-2-(8-quinolyl)thiazol-5-yl]ethanamine (1R)-N-ethyl-1-[4-methyl-2-(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) 3.70 8.24 -42.81 2 3 1 42 298.435 4 ↓
Hi High (pH 8-9.5) 3.70 7.02 -10.89 1 3 0 38 297.427 4 ↓

Analogs

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Popular Name: [2-(8-quinolyl)thiazol-5-yl]methanamine [2-(8-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) 2.17 4.51 -51.46 3 3 1 53 242.327 2 ↓
Mid Mid (pH 6-8) 2.17 4.11 -11.95 2 3 0 52 241.319 2 ↓

Analogs

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Popular Name: N-methyl-1-[2-(8-quinolyl)thiazol-5-yl]methanamine N-methyl-1-[2-(8-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) 2.54 6.39 -45.63 2 3 1 42 256.354 3 ↓
Hi High (pH 8-9.5) 2.54 4.94 -11.29 1 3 0 38 255.346 3 ↓

Analogs

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Popular Name: N-[[2-(8-quinolyl)thiazol-5-yl]methyl]ethanamine N-[[2-(8-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) 2.92 7.25 -44.64 2 3 1 42 270.381 4 ↓
Hi High (pH 8-9.5) 2.92 5.88 -11.15 1 3 0 38 269.373 4 ↓

Analogs

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Popular Name: N-[[2-(8-quinolyl)thiazol-5-yl]methyl]propan-1-amine N-[[2-(8-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) 3.42 8 -45.42 2 3 1 42 284.408 5 ↓
Hi High (pH 8-9.5) 3.42 6.64 -10.98 1 3 0 38 283.4 5 ↓

Analogs

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Popular Name: N-[[2-(8-quinolyl)thiazol-5-yl]methyl]propan-2-amine N-[[2-(8-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) 3.21 7.78 -42.88 2 3 1 42 284.408 4 ↓
Hi High (pH 8-9.5) 3.21 6.57 -10.98 1 3 0 38 283.4 4 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-[2-(8-quinolyl)thiazol-5-yl]ethanamine (1S)-N-methyl-1-[2-(8-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) 3.10 6.89 -44.24 2 3 1 42 270.381 3 ↓
Hi High (pH 8-9.5) 3.10 5.59 -10.82 1 3 0 38 269.373 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[2-(8-quinolyl)thiazol-5-yl]ethanamine (1R)-N-methyl-1-[2-(8-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) 3.10 6.89 -44.25 2 3 1 42 270.381 3 ↓
Hi High (pH 8-9.5) 3.10 5.63 -11.64 1 3 0 38 269.373 3 ↓

Analogs

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Popular Name: (1S)-N-ethyl-1-[2-(8-quinolyl)thiazol-5-yl]ethanamine (1S)-N-ethyl-1-[2-(8-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) 3.48 7.74 -42.83 2 3 1 42 284.408 4 ↓
Hi High (pH 8-9.5) 3.48 6.56 -11.48 1 3 0 38 283.4 4 ↓

Analogs

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Popular Name: (1R)-N-ethyl-1-[2-(8-quinolyl)thiazol-5-yl]ethanamine (1R)-N-ethyl-1-[2-(8-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) 3.48 7.74 -42.84 2 3 1 42 284.408 4 ↓
Hi High (pH 8-9.5) 3.48 6.53 -10.58 1 3 0 38 283.4 4 ↓

Analogs

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Popular Name: N-[(1S)-1-[2-(8-quinolyl)thiazol-5-yl]ethyl]propan-1-amine N-[(1S)-1-[2-(8-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) 3.98 8.51 -43.49 2 3 1 42 298.435 5 ↓
Hi High (pH 8-9.5) 3.98 7.32 -11.37 1 3 0 38 297.427 5 ↓

Analogs

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Popular Name: N-[(1R)-1-[2-(8-quinolyl)thiazol-5-yl]ethyl]propan-1-amine N-[(1R)-1-[2-(8-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) 3.98 8.51 -43.42 2 3 1 42 298.435 5 ↓
Hi High (pH 8-9.5) 3.98 7.28 -10.4 1 3 0 38 297.427 5 ↓

Analogs

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Popular Name: (1S)-1-[2-(8-quinolyl)thiazol-5-yl]ethanamine (1S)-1-[2-(8-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) 0.85 5.19 -49.79 3 3 1 53 256.354 2 ↓
Mid Mid (pH 6-8) 0.85 4.83 -11.66 2 3 0 52 255.346 2 ↓

Analogs

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Popular Name: (1R)-1-[2-(8-quinolyl)thiazol-5-yl]ethanamine (1R)-1-[2-(8-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) 0.85 5.19 -49.74 3 3 1 53 256.354 2 ↓
Mid Mid (pH 6-8) 0.85 4.85 -11.9 2 3 0 52 255.346 2 ↓

Analogs

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Popular Name: 2-(8-quinolyl)thiazole-4-carbaldehyde 2-(8-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) 2.77 5.79 -16.43 0 3 0 43 240.287 2 ↓

Analogs

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Popular Name: [2-(8-quinolyl)thiazol-4-yl]methanamine [2-(8-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) 2.17 4.21 -45.3 3 3 1 53 242.327 2 ↓
Hi High (pH 8-9.5) 2.17 3.81 -10.06 2 3 0 52 241.319 2 ↓

Analogs

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Popular Name: N-methyl-1-[2-(8-quinolyl)thiazol-4-yl]methanamine N-methyl-1-[2-(8-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) 2.54 6.08 -40.12 2 3 1 42 256.354 3 ↓
Hi High (pH 8-9.5) 2.54 4.63 -9.7 1 3 0 38 255.346 3 ↓

Analogs

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Popular Name: N-[[2-(8-quinolyl)thiazol-4-yl]methyl]ethanamine N-[[2-(8-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) 2.92 6.94 -39.12 2 3 1 42 270.381 4 ↓
Hi High (pH 8-9.5) 2.92 5.56 -9.44 1 3 0 38 269.373 4 ↓

Analogs

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Popular Name: N-[[2-(8-quinolyl)thiazol-4-yl]methyl]propan-1-amine N-[[2-(8-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) 3.42 7.7 -39.79 2 3 1 42 284.408 5 ↓
Hi High (pH 8-9.5) 3.42 6.33 -9.3 1 3 0 38 283.4 5 ↓

Analogs

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Popular Name: N-[[2-(8-quinolyl)thiazol-4-yl]methyl]propan-2-amine N-[[2-(8-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) 3.21 7.47 -37.77 2 3 1 42 284.408 4 ↓
Hi High (pH 8-9.5) 3.21 6.27 -9.24 1 3 0 38 283.4 4 ↓

Parameters Provided:

ring.id = 358842
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 = 358842 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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