UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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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) 4.35 9.36 -12.81 1 9 0 105 367.431 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-(5-nitroimidazo[2,1-b]thiazol-6-yl)piperidine-4-carboxylic 4-methyl-1-(5-nitroimidazo[2,1-b…

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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) 1.61 10.36 -54.05 0 8 -1 106 309.327 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(5-nitroimidazo[2,1-b]thiazol-6-yl)piperidine-3-carboxylic (3S)-3-methyl-1-(5-nitroimidazo[…

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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) 1.61 10.76 -52.16 0 8 -1 106 309.327 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(5-nitroimidazo[2,1-b]thiazol-6-yl)piperidine-3-carboxylic (3R)-3-methyl-1-(5-nitroimidazo[…

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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) 1.61 10.72 -52.09 0 8 -1 106 309.327 3 ↓

Analogs

42446953
42446953

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Popular Name: 6-(4-ethyl-4-methyl-1-piperidyl)imidazo[2,1-b]thiazole-5-carbaldehyde 6-(4-ethyl-4-methyl-1-piperidyl)…

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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) 3.19 8.62 -9.85 0 4 0 38 277.393 3 ↓

Analogs

42446953
42446953

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Popular Name: 6-(4,4-diethyl-1-piperidyl)imidazo[2,1-b]thiazole-5-carbaldehyde 6-(4,4-diethyl-1-piperidyl)imida…

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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) 3.52 9.1 -9.49 0 4 0 38 291.42 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4-ethyl-4-methyl-1-piperidyl)imidazo[2,1-b]thiazole-5-carboxylic 6-(4-ethyl-4-methyl-1-piperidyl)…

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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 8.51 -31.09 1 5 0 62 293.392 3 ↓
Mid Mid (pH 6-8) 2.97 8.33 -56.65 0 5 -1 61 292.384 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4,4-diethyl-1-piperidyl)imidazo[2,1-b]thiazole-5-carboxylic 6-(4,4-diethyl-1-piperidyl)imida…

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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) 3.30 8.98 -30.97 1 5 0 62 307.419 4 ↓
Mid Mid (pH 6-8) 3.30 8.79 -56.97 0 5 -1 61 306.411 4 ↓

Analogs

42447062
42447062

Draw Identity 99% 90% 80% 70%

Popular Name: [6-(4-ethyl-4-methyl-1-piperidyl)imidazo[2,1-b]thiazol-5-yl]methanol [6-(4-ethyl-4-methyl-1-piperidyl…

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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 6.65 -31.35 2 4 1 42 280.417 3 ↓
Mid Mid (pH 6-8) 2.73 6.24 -11.93 1 4 0 41 279.409 3 ↓

Analogs

42447062
42447062

Draw Identity 99% 90% 80% 70%

Popular Name: [6-(4,4-diethyl-1-piperidyl)imidazo[2,1-b]thiazol-5-yl]methanol [6-(4,4-diethyl-1-piperidyl)imid…

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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) 3.07 7.13 -31.73 2 4 1 42 294.444 4 ↓
Mid Mid (pH 6-8) 3.07 6.72 -11.45 1 4 0 41 293.436 4 ↓

Analogs

42447078
42447078

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Popular Name: 5-(chloromethyl)-6-(4-ethyl-4-methyl-1-piperidyl)imidazo[2,1-b]thiazole 5-(chloromethyl)-6-(4-ethyl-4-me…

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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) 3.97 10.2 -9.15 0 3 0 21 297.855 3 ↓
Mid Mid (pH 6-8) 3.97 10.6 -30.78 1 3 1 22 298.863 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-(4-ethyl-4-methyl-1-piperidyl)imidazo[2,1-b]thiazol-5-yl]methyl]ethanamine N-[[6-(4-ethyl-4-methyl-1-piperi…

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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 10.09 -111.28 3 4 2 38 308.495 5 ↓
Hi High (pH 8-9.5) 3.33 8.32 -8.69 1 4 0 33 306.479 5 ↓
Mid Mid (pH 6-8) 3.33 9.72 -48.17 2 4 1 37 307.487 5 ↓

Analogs

42447185
42447185

Draw Identity 99% 90% 80% 70%

Popular Name: [6-(4-ethyl-4-methyl-1-piperidyl)imidazo[2,1-b]thiazol-5-yl]methanamine [6-(4-ethyl-4-methyl-1-piperidyl…

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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 7.35 -118.54 4 4 2 49 280.441 3 ↓
Hi High (pH 8-9.5) 2.58 6.59 -9.16 2 4 0 47 278.425 3 ↓
Mid Mid (pH 6-8) 2.58 6.99 -55.47 3 4 1 48 279.433 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[6-(4-ethyl-4-methyl-1-piperidyl)imidazo[2,1-b]thiazol-5-yl]-N-methyl-methanamine 1-[6-(4-ethyl-4-methyl-1-piperid…

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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 9.23 -111.22 3 4 2 38 294.468 4 ↓
Hi High (pH 8-9.5) 2.96 7.38 -9.02 1 4 0 33 292.452 4 ↓
Mid Mid (pH 6-8) 2.96 8.86 -49.34 2 4 1 37 293.46 4 ↓

Analogs

42447185
42447185

Draw Identity 99% 90% 80% 70%

Popular Name: [6-(4,4-diethyl-1-piperidyl)imidazo[2,1-b]thiazol-5-yl]methanamine [6-(4,4-diethyl-1-piperidyl)imid…

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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 7.82 -119.45 4 4 2 49 294.468 4 ↓
Hi High (pH 8-9.5) 2.92 7.03 -9.19 2 4 0 47 292.452 4 ↓
Mid Mid (pH 6-8) 2.92 7.43 -54.84 3 4 1 48 293.46 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[6-(4,4-diethyl-1-piperidyl)imidazo[2,1-b]thiazol-5-yl]-N-methyl-methanamine 1-[6-(4,4-diethyl-1-piperidyl)im…

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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) 3.29 9.7 -112.15 3 4 2 38 308.495 5 ↓
Hi High (pH 8-9.5) 3.29 7.86 -8.43 1 4 0 33 306.479 5 ↓
Mid Mid (pH 6-8) 3.29 9.31 -48.8 2 4 1 37 307.487 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-(5-nitroimidazo[2,1-b]thiazol-6-yl)-4-piperidyl]methanol [1-(5-nitroimidazo[2,1-b]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) 1.49 6.86 -11.43 1 7 0 87 282.325 3 ↓

Analogs

8308983
8308983

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(5-nitroimidazo[2,1-b]thiazol-6-yl)-4-piperidyl]ethanamine 2-[1-(5-nitroimidazo[2,1-b]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) 1.38 8.17 -51.81 3 7 1 94 296.376 4 ↓

Analogs

8308983
8308983

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Popular Name: N-methyl-2-[1-(5-nitroimidazo[2,1-b]thiazol-6-yl)-4-piperidyl]ethanamine N-methyl-2-[1-(5-nitroimidazo[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) 2.36 10.04 -47.05 2 7 1 83 310.403 5 ↓

Analogs

40747276
40747276
40750542
40750542

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Popular Name: N-methyl-2-[(2S)-1-(5-nitroimidazo[2,1-b]thiazol-6-yl)-2-piperidyl]ethanamine N-methyl-2-[(2S)-1-(5-nitroimida…

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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) 2.30 10.59 -45.03 2 7 1 83 310.403 5 ↓

Analogs

40747276
40747276
40750542
40750542

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-[(2R)-1-(5-nitroimidazo[2,1-b]thiazol-6-yl)-2-piperidyl]ethanamine N-methyl-2-[(2R)-1-(5-nitroimida…

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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) 2.30 10.59 -45.06 2 7 1 83 310.403 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[5-(ethylaminomethyl)imidazo[2,1-b]thiazol-6-yl]piperidin-3-ol (3S)-1-[5-(ethylaminomethyl)imid…

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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) 1.19 5 -47.95 3 5 1 57 281.405 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[5-(ethylaminomethyl)imidazo[2,1-b]thiazol-6-yl]piperidin-3-ol (3R)-1-[5-(ethylaminomethyl)imid…

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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) 1.19 5.02 -47.17 3 5 1 57 281.405 4 ↓

Analogs

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Popular Name: (3S)-1-[5-(propylaminomethyl)imidazo[2,1-b]thiazol-6-yl]piperidin-3-ol (3S)-1-[5-(propylaminomethyl)imi…

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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) 1.70 5.76 -48.67 3 5 1 57 295.432 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[5-(propylaminomethyl)imidazo[2,1-b]thiazol-6-yl]piperidin-3-ol (3R)-1-[5-(propylaminomethyl)imi…

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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) 1.70 5.77 -47.87 3 5 1 57 295.432 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[5-[(isopropylamino)methyl]imidazo[2,1-b]thiazol-6-yl]piperidin-3-ol (3S)-1-[5-[(isopropylamino)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) 1.49 5.54 -45.97 3 5 1 57 295.432 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[5-[(isopropylamino)methyl]imidazo[2,1-b]thiazol-6-yl]piperidin-3-ol (3R)-1-[5-[(isopropylamino)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) 1.49 5.55 -45.31 3 5 1 57 295.432 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-formylimidazo[2,1-b]thiazol-6-yl)-N-methyl-piperidine-4-carboxamide 1-(5-formylimidazo[2,1-b]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) 1.17 5.43 -18.65 1 6 0 67 292.364 3 ↓

Analogs

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Popular Name: 6-[4-(methylcarbamoyl)-1-piperidyl]imidazo[2,1-b]thiazole-5-carboxylic 6-[4-(methylcarbamoyl)-1-piperid…

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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) 0.95 5.14 -59.06 1 7 -1 90 307.355 3 ↓

Analogs

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Popular Name: 1-[5-(hydroxymethyl)imidazo[2,1-b]thiazol-6-yl]-N-methyl-piperidine-4-carboxamide 1-[5-(hydroxymethyl)imidazo[2,1-…

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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) 0.72 3.05 -19.9 2 6 0 70 294.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-(aminomethyl)imidazo[2,1-b]thiazol-6-yl]-N-methyl-piperidine-4-carboxamide 1-[5-(aminomethyl)imidazo[2,1-b]…

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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) 0.56 3.8 -67.8 4 6 1 77 294.404 3 ↓
Hi High (pH 8-9.5) 0.56 3.36 -17.64 3 6 0 76 293.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[5-(methylaminomethyl)imidazo[2,1-b]thiazol-6-yl]piperidine-4-carboxamide N-methyl-1-[5-(methylaminomethyl…

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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) 0.94 5.68 -60.34 3 6 1 66 308.431 4 ↓
Hi High (pH 8-9.5) 0.94 4.24 -17.06 2 6 0 62 307.423 4 ↓

Analogs

42429378
42429378
42429380
42429380
42429382
42429382

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Popular Name: (3S,6R)-1-(5-formylimidazo[2,1-b]thiazol-6-yl)-6-methyl-piperidine-3-carboxamide (3S,6R)-1-(5-formylimidazo[2,1-b…

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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) 1.13 4.41 -16.88 2 6 0 81 292.364 3 ↓

Analogs

42429380
42429380
42429382
42429382
42429376
42429376

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-1-(5-formylimidazo[2,1-b]thiazol-6-yl)-6-methyl-piperidine-3-carboxamide (3S,6S)-1-(5-formylimidazo[2,1-b…

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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) 1.13 3.94 -14.63 2 6 0 81 292.364 3 ↓

Analogs

42429382
42429382
42429376
42429376
42429378
42429378

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-1-(5-formylimidazo[2,1-b]thiazol-6-yl)-6-methyl-piperidine-3-carboxamide (3R,6R)-1-(5-formylimidazo[2,1-b…

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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) 1.13 4.03 -14.62 2 6 0 81 292.364 3 ↓

Analogs

42429376
42429376
42429378
42429378
42429380
42429380

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-1-(5-formylimidazo[2,1-b]thiazol-6-yl)-6-methyl-piperidine-3-carboxamide (3R,6S)-1-(5-formylimidazo[2,1-b…

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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) 1.13 4.41 -16.93 2 6 0 81 292.364 3 ↓

Analogs

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Popular Name: 2-[1-(5-formylimidazo[2,1-b]thiazol-6-yl)-4-piperidyl]acetamide 2-[1-(5-formylimidazo[2,1-b]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) 1.25 4.65 -14.73 2 6 0 81 292.364 4 ↓

Analogs

42429528
42429528
42429530
42429530
42429532
42429532

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Popular Name: 6-[(2R,5S)-5-carbamoyl-2-methyl-1-piperidyl]imidazo[2,1-b]thiazole-5-carboxylic 6-[(2R,5S)-5-carbamoyl-2-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) 0.91 4.09 -56.59 2 7 -1 104 307.355 3 ↓

Analogs

42429530
42429530
42429532
42429532
42429526
42429526

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2S,5S)-5-carbamoyl-2-methyl-1-piperidyl]imidazo[2,1-b]thiazole-5-carboxylic 6-[(2S,5S)-5-carbamoyl-2-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) 0.91 3.63 -68.04 2 7 -1 104 307.355 3 ↓

Analogs

42429532
42429532
42429526
42429526
42429528
42429528

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2R,5R)-5-carbamoyl-2-methyl-1-piperidyl]imidazo[2,1-b]thiazole-5-carboxylic 6-[(2R,5R)-5-carbamoyl-2-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) 0.91 3.71 -68.65 2 7 -1 104 307.355 3 ↓

Analogs

42429526
42429526
42429528
42429528
42429530
42429530

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2S,5R)-5-carbamoyl-2-methyl-1-piperidyl]imidazo[2,1-b]thiazole-5-carboxylic 6-[(2S,5R)-5-carbamoyl-2-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) 0.91 4.1 -56.36 2 7 -1 104 307.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[4-(2-amino-2-oxo-ethyl)-1-piperidyl]imidazo[2,1-b]thiazole-5-carboxylic 6-[4-(2-amino-2-oxo-ethyl)-1-pip…

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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) 1.03 4.49 -36.06 3 7 0 105 308.363 4 ↓

Analogs

42430144
42430144
42430146
42430146
42430148
42430148

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Popular Name: (3S,6R)-1-[5-(hydroxymethyl)imidazo[2,1-b]thiazol-6-yl]-6-methyl-piperidine-3-carboxamide (3S,6R)-1-[5-(hydroxymethyl)imid…

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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) 0.67 2 -20.56 3 6 0 84 294.38 3 ↓

Analogs

42430146
42430146
42430148
42430148
42430142
42430142

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-1-[5-(hydroxymethyl)imidazo[2,1-b]thiazol-6-yl]-6-methyl-piperidine-3-carboxamide (3S,6S)-1-[5-(hydroxymethyl)imid…

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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) 0.67 1.64 -15.45 3 6 0 84 294.38 3 ↓

Analogs

42430148
42430148
42430142
42430142
42430144
42430144

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-1-[5-(hydroxymethyl)imidazo[2,1-b]thiazol-6-yl]-6-methyl-piperidine-3-carboxamide (3R,6R)-1-[5-(hydroxymethyl)imid…

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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) 0.67 1.61 -16.73 3 6 0 84 294.38 3 ↓

Analogs

42430142
42430142
42430144
42430144
42430146
42430146

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-1-[5-(hydroxymethyl)imidazo[2,1-b]thiazol-6-yl]-6-methyl-piperidine-3-carboxamide (3R,6S)-1-[5-(hydroxymethyl)imid…

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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) 0.67 2.02 -19.85 3 6 0 84 294.38 3 ↓

Analogs

42432336
42432336

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Popular Name: 6-[(2R)-2-(hydroxymethyl)-1-piperidyl]imidazo[2,1-b]thiazole-5-carbaldehyde 6-[(2R)-2-(hydroxymethyl)-1-pipe…

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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) 1.55 4.37 -11.67 1 5 0 58 265.338 3 ↓

Analogs

42432335
42432335

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2S)-2-(hydroxymethyl)-1-piperidyl]imidazo[2,1-b]thiazole-5-carbaldehyde 6-[(2S)-2-(hydroxymethyl)-1-pipe…

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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) 1.55 4.3 -11.61 1 5 0 58 265.338 3 ↓

Analogs

42432398
42432398

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-1-[5-(hydroxymethyl)imidazo[2,1-b]thiazol-6-yl]-2-piperidyl]methanol [(2R)-1-[5-(hydroxymethyl)imidaz…

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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) 1.10 2.05 -12.77 2 5 0 61 267.354 3 ↓

Analogs

42432397
42432397

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-1-[5-(hydroxymethyl)imidazo[2,1-b]thiazol-6-yl]-2-piperidyl]methanol [(2S)-1-[5-(hydroxymethyl)imidaz…

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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) 1.10 1.98 -13.51 2 5 0 61 267.354 3 ↓

Parameters Provided:

ring.id = 86226
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 = 86226 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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