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Popular Name: (3S)-3-methyl-1-(5-nitroimidazo[2,1-b]thiazol-6-yl)pyrrolidine-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) 1.34 9.69 -52.92 0 8 -1 106 295.3 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(5-nitroimidazo[2,1-b]thiazol-6-yl)pyrrolidine-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) 1.34 9.68 -50.8 0 8 -1 106 295.3 3 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(5-nitroimidazo[2,1-b]thiazol-6-yl)pyrrolidine-3-carboxylic (3S)-3-ethyl-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) 1.67 10.18 -52.19 0 8 -1 106 309.327 4 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-(5-nitroimidazo[2,1-b]thiazol-6-yl)pyrrolidine-3-carboxylic (3R)-3-ethyl-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) 1.67 10.28 -54.6 0 8 -1 106 309.327 4 ↓

Analogs

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Popular Name: 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]imidazo[2,1-b]thiazole-5-carbaldehyde 6-[(3R)-3-(dimethylamino)pyrroli…

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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) 1.44 7.53 -47.82 1 5 1 42 265.362 3 ↓
Mid Mid (pH 6-8) 1.44 5.14 -11.44 0 5 0 41 264.354 3 ↓

Analogs

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Popular Name: 6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]imidazo[2,1-b]thiazole-5-carbaldehyde 6-[(3S)-3-(dimethylamino)pyrroli…

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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) 1.44 7.54 -49.85 1 5 1 42 265.362 3 ↓
Mid Mid (pH 6-8) 1.44 5.14 -11.03 0 5 0 41 264.354 3 ↓

Analogs

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Popular Name: 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]imidazo[2,1-b]thiazole-5-carboxylic 6-[(3R)-3-(dimethylamino)pyrroli…

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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) 1.22 7.5 -65.62 1 6 0 65 280.353 3 ↓
Mid Mid (pH 6-8) 1.22 5.09 -59.14 0 6 -1 64 279.345 3 ↓

Analogs

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Popular Name: 6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]imidazo[2,1-b]thiazole-5-carboxylic 6-[(3S)-3-(dimethylamino)pyrroli…

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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) 1.22 7.5 -66.98 1 6 0 65 280.353 3 ↓
Mid Mid (pH 6-8) 1.22 5.1 -58.24 0 6 -1 64 279.345 3 ↓

Analogs

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Popular Name: 6-[(3R)-3-(diethylamino)pyrrolidin-1-yl]imidazo[2,1-b]thiazole-5-carboxylic 6-[(3R)-3-(diethylamino)pyrrolid…

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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) 1.98 8.54 -62.83 1 6 0 65 308.407 5 ↓
Hi High (pH 8-9.5) 1.98 6.52 -58.33 0 6 -1 64 307.399 5 ↓
Mid Mid (pH 6-8) 1.98 6.45 -31.33 1 6 0 65 308.407 5 ↓

Analogs

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Popular Name: 6-[(3S)-3-(diethylamino)pyrrolidin-1-yl]imidazo[2,1-b]thiazole-5-carboxylic 6-[(3S)-3-(diethylamino)pyrrolid…

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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) 1.98 8.54 -64.29 1 6 0 65 308.407 5 ↓
Hi High (pH 8-9.5) 1.98 6.42 -58.47 0 6 -1 64 307.399 5 ↓
Mid Mid (pH 6-8) 1.98 6.49 -31.22 1 6 0 65 308.407 5 ↓

Analogs

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Popular Name: [6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]imidazo[2,1-b]thiazol-5-yl]methanol [6-[(3R)-3-(dimethylamino)pyrrol…

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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) 0.99 5.19 -43.45 2 5 1 45 267.378 3 ↓
Mid Mid (pH 6-8) 0.99 2.8 -13.21 1 5 0 44 266.37 3 ↓

Analogs

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Popular Name: [6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]imidazo[2,1-b]thiazol-5-yl]methanol [6-[(3S)-3-(dimethylamino)pyrrol…

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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) 0.99 5.21 -47.29 2 5 1 45 267.378 3 ↓
Mid Mid (pH 6-8) 0.99 2.83 -12.63 1 5 0 44 266.37 3 ↓

Analogs

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Popular Name: [6-[(3R)-3-(diethylamino)pyrrolidin-1-yl]imidazo[2,1-b]thiazol-5-yl]methanol [6-[(3R)-3-(diethylamino)pyrroli…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.74 6.27 -41.04 2 5 1 45 295.432 5 ↓
Mid Mid (pH 6-8) 1.74 4.15 -12.74 1 5 0 44 294.424 5 ↓

Analogs

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Popular Name: [6-[(3S)-3-(diethylamino)pyrrolidin-1-yl]imidazo[2,1-b]thiazol-5-yl]methanol [6-[(3S)-3-(diethylamino)pyrroli…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.74 6.27 -44.11 2 5 1 45 295.432 5 ↓
Mid Mid (pH 6-8) 1.74 4.18 -11.57 1 5 0 44 294.424 5 ↓

Analogs

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Popular Name: (3R)-1-[5-(chloromethyl)imidazo[2,1-b]thiazol-6-yl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[5-(chloromethyl)imidazo[…

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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) 2.23 8.96 -41.3 1 4 1 25 285.824 3 ↓
Mid Mid (pH 6-8) 2.23 6.56 -10.27 0 4 0 24 284.816 3 ↓

Analogs

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Popular Name: (3S)-1-[5-(chloromethyl)imidazo[2,1-b]thiazol-6-yl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[5-(chloromethyl)imidazo[…

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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) 2.23 8.97 -43.65 1 4 1 25 285.824 3 ↓
Mid Mid (pH 6-8) 2.23 6.58 -9.8 0 4 0 24 284.816 3 ↓

Analogs

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Popular Name: (3R)-1-[5-(chloromethyl)imidazo[2,1-b]thiazol-6-yl]-N,N-diethyl-pyrrolidin-3-amine (3R)-1-[5-(chloromethyl)imidazo[…

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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) 2.98 10.02 -38.88 1 4 1 25 313.878 5 ↓
Mid Mid (pH 6-8) 2.98 7.98 -9.78 0 4 0 24 312.87 5 ↓

Analogs

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Popular Name: (3S)-1-[5-(chloromethyl)imidazo[2,1-b]thiazol-6-yl]-N,N-diethyl-pyrrolidin-3-amine (3S)-1-[5-(chloromethyl)imidazo[…

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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) 2.98 10.01 -40.91 1 4 1 25 313.878 5 ↓
Mid Mid (pH 6-8) 2.98 7.88 -9.44 0 4 0 24 312.87 5 ↓

Analogs

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Popular Name: (3S)-N,N-dimethyl-1-[5-(propylaminomethyl)imidazo[2,1-b]thiazol-6-yl]pyrrolidin-3-amine (3S)-N,N-dimethyl-1-[5-(propylam…

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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) 2.09 9.35 -96.89 3 5 2 42 309.483 6 ↓
Hi High (pH 8-9.5) 2.09 5.59 -9.31 1 5 0 36 307.467 6 ↓
Mid Mid (pH 6-8) 2.09 6.94 -47.19 2 5 1 40 308.475 6 ↓

Analogs

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Popular Name: (3R)-N,N-dimethyl-1-[5-(propylaminomethyl)imidazo[2,1-b]thiazol-6-yl]pyrrolidin-3-amine (3R)-N,N-dimethyl-1-[5-(propylam…

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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) 2.09 9.41 -97.52 3 5 2 42 309.483 6 ↓
Hi High (pH 8-9.5) 2.09 5.66 -9.69 1 5 0 36 307.467 6 ↓
Mid Mid (pH 6-8) 2.09 7.01 -47.23 2 5 1 40 308.475 6 ↓

Analogs

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Popular Name: (3S)-1-[5-(ethylaminomethyl)imidazo[2,1-b]thiazol-6-yl]-N,N-dimethyl-pyrrolidin-3-amine (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) 1.58 8.59 -95.75 3 5 2 42 295.456 5 ↓
Hi High (pH 8-9.5) 1.58 4.82 -9.39 1 5 0 36 293.44 5 ↓
Mid Mid (pH 6-8) 1.58 6.19 -46.59 2 5 1 40 294.448 5 ↓

Analogs

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Popular Name: (3R)-1-[5-(ethylaminomethyl)imidazo[2,1-b]thiazol-6-yl]-N,N-dimethyl-pyrrolidin-3-amine (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) 1.58 8.66 -96.29 3 5 2 42 295.456 5 ↓
Hi High (pH 8-9.5) 1.58 4.9 -9.86 1 5 0 36 293.44 5 ↓
Mid Mid (pH 6-8) 1.58 6.25 -46.63 2 5 1 40 294.448 5 ↓

Analogs

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Popular Name: (3R)-1-[5-(aminomethyl)imidazo[2,1-b]thiazol-6-yl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[5-(aminomethyl)imidazo[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) 0.84 5.87 -102.01 4 5 2 53 267.402 3 ↓
Hi High (pH 8-9.5) 0.84 3.06 -10.41 2 5 0 50 265.386 3 ↓
Mid Mid (pH 6-8) 0.84 3.45 -53.11 3 5 1 51 266.394 3 ↓

Analogs

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Popular Name: (3S)-1-[5-(aminomethyl)imidazo[2,1-b]thiazol-6-yl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[5-(aminomethyl)imidazo[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) 0.84 5.87 -119.19 4 5 2 53 267.402 3 ↓
Hi High (pH 8-9.5) 0.84 3.09 -9.67 2 5 0 50 265.386 3 ↓
Mid Mid (pH 6-8) 0.84 3.48 -50.75 3 5 1 51 266.394 3 ↓

Analogs

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Popular Name: (3S)-N,N-dimethyl-1-[5-(methylaminomethyl)imidazo[2,1-b]thiazol-6-yl]pyrrolidin-3-amine (3S)-N,N-dimethyl-1-[5-(methylam…

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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) 1.21 7.74 -96.52 3 5 2 42 281.429 4 ↓
Hi High (pH 8-9.5) 1.21 3.89 -9.68 1 5 0 36 279.413 4 ↓
Mid Mid (pH 6-8) 1.21 5.34 -47.89 2 5 1 40 280.421 4 ↓

Analogs

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Popular Name: (3R)-N,N-dimethyl-1-[5-(methylaminomethyl)imidazo[2,1-b]thiazol-6-yl]pyrrolidin-3-amine (3R)-N,N-dimethyl-1-[5-(methylam…

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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) 1.21 7.81 -97.19 3 5 2 42 281.429 4 ↓
Hi High (pH 8-9.5) 1.21 3.97 -10.08 1 5 0 36 279.413 4 ↓
Mid Mid (pH 6-8) 1.21 5.4 -47.94 2 5 1 40 280.421 4 ↓

Analogs

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Popular Name: (3S)-1-[5-[(isopropylamino)methyl]imidazo[2,1-b]thiazol-6-yl]-N,N-dimethyl-pyrrolidin-3-amine (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) 1.88 9.02 -93.51 3 5 2 42 309.483 5 ↓
Hi High (pH 8-9.5) 1.88 5.42 -9.26 1 5 0 36 307.467 5 ↓
Mid Mid (pH 6-8) 1.88 6.61 -44.14 2 5 1 40 308.475 5 ↓

Analogs

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Popular Name: (3R)-1-[5-[(isopropylamino)methyl]imidazo[2,1-b]thiazol-6-yl]-N,N-dimethyl-pyrrolidin-3-amine (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) 1.88 9.02 -94.04 3 5 2 42 309.483 5 ↓
Hi High (pH 8-9.5) 1.88 5.44 -9.72 1 5 0 36 307.467 5 ↓
Mid Mid (pH 6-8) 1.88 6.62 -44.08 2 5 1 40 308.475 5 ↓

Analogs

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Popular Name: (3R)-1-[5-(aminomethyl)imidazo[2,1-b]thiazol-6-yl]-N,N-diethyl-pyrrolidin-3-amine (3R)-1-[5-(aminomethyl)imidazo[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) 1.59 6.88 -101.16 4 5 2 53 295.456 5 ↓
Hi High (pH 8-9.5) 1.59 4.48 -9.97 2 5 0 50 293.44 5 ↓
Mid Mid (pH 6-8) 1.59 4.86 -53.19 3 5 1 51 294.448 5 ↓

Analogs

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Popular Name: (3S)-1-[5-(aminomethyl)imidazo[2,1-b]thiazol-6-yl]-N,N-diethyl-pyrrolidin-3-amine (3S)-1-[5-(aminomethyl)imidazo[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) 1.59 6.89 -118.14 4 5 2 53 295.456 5 ↓
Hi High (pH 8-9.5) 1.59 4.39 -9.13 2 5 0 50 293.44 5 ↓
Mid Mid (pH 6-8) 1.59 4.76 -50.36 3 5 1 51 294.448 5 ↓

Analogs

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Popular Name: (3R)-N,N-diethyl-1-[5-(methylaminomethyl)imidazo[2,1-b]thiazol-6-yl]pyrrolidin-3-amine (3R)-N,N-diethyl-1-[5-(methylami…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.96 8.77 -95.49 3 5 2 42 309.483 6 ↓
Hi High (pH 8-9.5) 1.96 5.56 -9.53 1 5 0 36 307.467 6 ↓
Mid Mid (pH 6-8) 1.96 6.64 -47.4 2 5 1 40 308.475 6 ↓

Analogs

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Popular Name: (3S)-N,N-diethyl-1-[5-(methylaminomethyl)imidazo[2,1-b]thiazol-6-yl]pyrrolidin-3-amine (3S)-N,N-diethyl-1-[5-(methylami…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.96 8.8 -111.73 3 5 2 42 309.483 6 ↓
Hi High (pH 8-9.5) 1.96 5.59 -8.54 1 5 0 36 307.467 6 ↓
Mid Mid (pH 6-8) 1.96 6.7 -44.43 2 5 1 40 308.475 6 ↓

Analogs

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Popular Name: (E)-3-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]imidazo[2,1-b]thiazol-5-yl]prop-2-enoic (E)-3-[6-[(3R)-3-(dimethylamino)…

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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) 1.44 8.19 -75.98 1 6 0 65 306.391 4 ↓
Mid Mid (pH 6-8) 1.44 5.79 -55.55 0 6 -1 64 305.383 4 ↓

Analogs

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Popular Name: (E)-3-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]imidazo[2,1-b]thiazol-5-yl]prop-2-enoic (E)-3-[6-[(3S)-3-(dimethylamino)…

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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) 1.44 8.2 -75.46 1 6 0 65 306.391 4 ↓
Mid Mid (pH 6-8) 1.44 5.81 -55.98 0 6 -1 64 305.383 4 ↓

Analogs

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Popular Name: 6-[(3R)-3-(diethylamino)pyrrolidin-1-yl]imidazo[2,1-b]thiazole-5-carbaldehyde 6-[(3R)-3-(diethylamino)pyrrolid…

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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 8.56 -45.63 1 5 1 42 293.416 5 ↓
Mid Mid (pH 6-8) 2.19 6.56 -11.05 0 5 0 41 292.408 5 ↓

Analogs

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Popular Name: 6-[(3S)-3-(diethylamino)pyrrolidin-1-yl]imidazo[2,1-b]thiazole-5-carbaldehyde 6-[(3S)-3-(diethylamino)pyrrolid…

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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 8.57 -47.27 1 5 1 42 293.416 5 ↓
Mid Mid (pH 6-8) 2.19 6.43 -10.65 0 5 0 41 292.408 5 ↓

Analogs

42433155
42433155

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Popular Name: [(2R)-1-[5-(hydroxymethyl)imidazo[2,1-b]thiazol-6-yl]pyrrolidin-2-yl]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) 0.60 1.71 -13.2 2 5 0 61 253.327 3 ↓

Analogs

42433154
42433154

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Popular Name: [(2S)-1-[5-(hydroxymethyl)imidazo[2,1-b]thiazol-6-yl]pyrrolidin-2-yl]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) 0.60 1.72 -14.74 2 5 0 61 253.327 3 ↓

Analogs

42434611
42434611

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Popular Name: [(2R)-1-(5-nitroimidazo[2,1-b]thiazol-6-yl)pyrrolidin-2-yl]methanol [(2R)-1-(5-nitroimidazo[2,1-b]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) 1.10 6.34 -12.14 1 7 0 87 268.298 3 ↓

Analogs

42434610
42434610

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Popular Name: [(2S)-1-(5-nitroimidazo[2,1-b]thiazol-6-yl)pyrrolidin-2-yl]methanol [(2S)-1-(5-nitroimidazo[2,1-b]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) 1.10 6.36 -12.14 1 7 0 87 268.298 3 ↓

Parameters Provided:

ring.id = 310820
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 = 310820 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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