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Analogs

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Popular Name: 2-isoindolin-2-ylthiazole-5-carbaldehyde 2-isoindolin-2-ylthiazole-5-carb…

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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) 2.11 6.65 -8.53 0 3 0 33 230.292 2 ↓

Analogs

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Popular Name: 1-(2-isoindolin-2-ylthiazol-5-yl)ethanone 1-(2-isoindolin-2-ylthiazol-5-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.22 7.42 -9.73 0 3 0 33 244.319 2 ↓

Analogs

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Popular Name: 1-(2-isoindolin-2-yl-4-methyl-thiazol-5-yl)ethanone 1-(2-isoindolin-2-yl-4-methyl-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) 2.44 7.98 -8.14 0 3 0 33 258.346 2 ↓

Analogs

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Popular Name: (1R)-1-(2-isoindolin-2-yl-4-methyl-thiazol-5-yl)ethanamine (1R)-1-(2-isoindolin-2-yl-4-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) 0.41 6.13 -46.36 3 3 1 44 260.386 2 ↓
Mid Mid (pH 6-8) 0.41 5.79 -6.97 2 3 0 42 259.378 2 ↓

Analogs

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Popular Name: (1S)-1-(2-isoindolin-2-yl-4-methyl-thiazol-5-yl)ethanamine (1S)-1-(2-isoindolin-2-yl-4-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) 0.41 6.14 -46.11 3 3 1 44 260.386 2 ↓
Mid Mid (pH 6-8) 0.41 5.79 -6.74 2 3 0 42 259.378 2 ↓

Analogs

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Popular Name: (2-isoindolin-2-ylthiazol-5-yl)methanamine (2-isoindolin-2-ylthiazol-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) 1.50 4.95 -47.48 3 3 1 44 232.332 2 ↓
Mid Mid (pH 6-8) 1.50 4.55 -6.51 2 3 0 42 231.324 2 ↓

Analogs

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Popular Name: (1S)-1-(2-isoindolin-2-ylthiazol-5-yl)ethanamine (1S)-1-(2-isoindolin-2-ylthiazol…

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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) 0.18 5.62 -45.81 3 3 1 44 246.359 2 ↓
Mid Mid (pH 6-8) 0.18 5.29 -6.4 2 3 0 42 245.351 2 ↓

Analogs

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Popular Name: (1R)-1-(2-isoindolin-2-ylthiazol-5-yl)ethanamine (1R)-1-(2-isoindolin-2-ylthiazol…

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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) 0.18 5.62 -45.82 3 3 1 44 246.359 2 ↓
Mid Mid (pH 6-8) 0.18 5.28 -6.07 2 3 0 42 245.351 2 ↓

Analogs

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Popular Name: (1R)-1-(2-isoindolin-2-yl-4-methyl-thiazol-5-yl)-N-methyl-ethanamine (1R)-1-(2-isoindolin-2-yl-4-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) 2.66 7.85 -40.92 2 3 1 33 274.413 3 ↓
Hi High (pH 8-9.5) 2.66 6.55 -6.72 1 3 0 28 273.405 3 ↓

Analogs

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Popular Name: (1S)-1-(2-isoindolin-2-yl-4-methyl-thiazol-5-yl)-N-methyl-ethanamine (1S)-1-(2-isoindolin-2-yl-4-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) 2.66 7.87 -40.7 2 3 1 33 274.413 3 ↓
Hi High (pH 8-9.5) 2.66 6.55 -5.9 1 3 0 28 273.405 3 ↓

Analogs

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Popular Name: (1S)-N-ethyl-1-(2-isoindolin-2-yl-4-methyl-thiazol-5-yl)ethanamine (1S)-N-ethyl-1-(2-isoindolin-2-y…

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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) 3.04 8.68 -39.51 2 3 1 33 288.44 4 ↓
Hi High (pH 8-9.5) 3.04 7.49 -6.54 1 3 0 28 287.432 4 ↓

Analogs

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Popular Name: (1R)-N-ethyl-1-(2-isoindolin-2-yl-4-methyl-thiazol-5-yl)ethanamine (1R)-N-ethyl-1-(2-isoindolin-2-y…

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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) 3.04 8.7 -39.35 2 3 1 33 288.44 4 ↓
Hi High (pH 8-9.5) 3.04 7.48 -5.71 1 3 0 28 287.432 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-isoindolin-2-yl-4-methyl-thiazol-5-yl)ethyl]propan-1-amine N-[(1S)-1-(2-isoindolin-2-yl-4-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) 3.54 9.44 -40.11 2 3 1 33 302.467 5 ↓
Hi High (pH 8-9.5) 3.54 8.24 -6.48 1 3 0 28 301.459 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-isoindolin-2-yl-4-methyl-thiazol-5-yl)ethyl]propan-1-amine N-[(1R)-1-(2-isoindolin-2-yl-4-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) 3.54 9.46 -39.9 2 3 1 33 302.467 5 ↓
Hi High (pH 8-9.5) 3.54 8.24 -5.58 1 3 0 28 301.459 5 ↓

Analogs

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Popular Name: 1-(2-isoindolin-2-ylthiazol-5-yl)-N-methyl-methanamine 1-(2-isoindolin-2-ylthiazol-5-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.88 6.82 -41.83 2 3 1 33 246.359 3 ↓
Hi High (pH 8-9.5) 1.88 5.38 -5.95 1 3 0 28 245.351 3 ↓

Analogs

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Popular Name: N-[(2-isoindolin-2-ylthiazol-5-yl)methyl]ethanamine N-[(2-isoindolin-2-ylthiazol-5-y…

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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) 2.25 7.68 -40.95 2 3 1 33 260.386 4 ↓
Hi High (pH 8-9.5) 2.25 6.31 -5.85 1 3 0 28 259.378 4 ↓

Analogs

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Popular Name: N-[(2-isoindolin-2-ylthiazol-5-yl)methyl]propan-1-amine N-[(2-isoindolin-2-ylthiazol-5-y…

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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) 2.76 8.44 -41.74 2 3 1 33 274.413 5 ↓
Hi High (pH 8-9.5) 2.76 7.08 -5.7 1 3 0 28 273.405 5 ↓

Analogs

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Popular Name: N-[(2-isoindolin-2-ylthiazol-5-yl)methyl]propan-2-amine N-[(2-isoindolin-2-ylthiazol-5-y…

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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) 2.55 8.22 -39.34 2 3 1 33 274.413 4 ↓
Hi High (pH 8-9.5) 2.55 6.98 -5.7 1 3 0 28 273.405 4 ↓

Analogs

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Popular Name: N-[(2-isoindolin-2-ylthiazol-5-yl)methyl]-2-methyl-propan-2-amine N-[(2-isoindolin-2-ylthiazol-5-y…

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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) 3.06 8.64 -37.29 2 3 1 33 288.44 4 ↓
Hi High (pH 8-9.5) 3.06 7.39 -5.58 1 3 0 28 287.432 4 ↓

Analogs

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Popular Name: N-[(2-isoindolin-2-ylthiazol-5-yl)methyl]-2-methyl-propan-1-amine N-[(2-isoindolin-2-ylthiazol-5-y…

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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) 3.00 9.13 -41.71 2 3 1 33 288.44 5 ↓
Hi High (pH 8-9.5) 3.00 7.91 -5.58 1 3 0 28 287.432 5 ↓

Analogs

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Popular Name: N-[(2-isoindolin-2-ylthiazol-5-yl)methyl]-2-methoxy-ethanamine N-[(2-isoindolin-2-ylthiazol-5-y…

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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) 1.86 6.82 -41.44 2 4 1 42 290.412 6 ↓
Mid Mid (pH 6-8) 1.86 5.47 -6.96 1 4 0 37 289.404 6 ↓

Analogs

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Popular Name: (1S)-1-(2-isoindolin-2-ylthiazol-5-yl)-N-methyl-ethanamine (1S)-1-(2-isoindolin-2-ylthiazol…

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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) 2.44 7.36 -40.46 2 3 1 33 260.386 3 ↓
Hi High (pH 8-9.5) 2.44 6.09 -5.25 1 3 0 28 259.378 3 ↓

Analogs

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Popular Name: (1R)-1-(2-isoindolin-2-ylthiazol-5-yl)-N-methyl-ethanamine (1R)-1-(2-isoindolin-2-ylthiazol…

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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) 2.44 7.36 -40.37 2 3 1 33 260.386 3 ↓
Hi High (pH 8-9.5) 2.44 6.1 -6.17 1 3 0 28 259.378 3 ↓

Analogs

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Popular Name: (1S)-N-ethyl-1-(2-isoindolin-2-ylthiazol-5-yl)ethanamine (1S)-N-ethyl-1-(2-isoindolin-2-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.81 8.21 -38.99 2 3 1 33 274.413 4 ↓
Hi High (pH 8-9.5) 2.81 7.04 -5.98 1 3 0 28 273.405 4 ↓

Analogs

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Popular Name: (1R)-N-ethyl-1-(2-isoindolin-2-ylthiazol-5-yl)ethanamine (1R)-N-ethyl-1-(2-isoindolin-2-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.81 8.21 -38.98 2 3 1 33 274.413 4 ↓
Hi High (pH 8-9.5) 2.81 7.01 -5.04 1 3 0 28 273.405 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-isoindolin-2-ylthiazol-5-yl)ethyl]propan-1-amine N-[(1S)-1-(2-isoindolin-2-ylthia…

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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 8.97 -39.71 2 3 1 33 288.44 5 ↓
Hi High (pH 8-9.5) 3.32 7.79 -5.88 1 3 0 28 287.432 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-isoindolin-2-ylthiazol-5-yl)ethyl]propan-1-amine N-[(1R)-1-(2-isoindolin-2-ylthia…

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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 8.96 -39.72 2 3 1 33 288.44 5 ↓
Hi High (pH 8-9.5) 3.32 7.76 -4.99 1 3 0 28 287.432 5 ↓

Analogs

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Popular Name: 2-isoindolin-2-ylthiazole-5-carboxylic 2-isoindolin-2-ylthiazole-5-carb…

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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) 1.89 7.51 -49.52 0 4 -1 56 245.283 2 ↓
Lo Low (pH 4.5-6) 1.89 7.99 -38.99 1 4 0 58 246.291 2 ↓

Analogs

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Popular Name: (1R)-1-(2-isoindolin-2-yl-4-methyl-thiazol-5-yl)ethanol (1R)-1-(2-isoindolin-2-yl-4-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) 2.10 5.51 -7.25 1 3 0 36 260.362 2 ↓
Lo Low (pH 4.5-6) 2.10 5.96 -25.29 2 3 1 38 261.37 2 ↓

Analogs

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Popular Name: (1S)-1-(2-isoindolin-2-yl-4-methyl-thiazol-5-yl)ethanol (1S)-1-(2-isoindolin-2-yl-4-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) 2.10 5.53 -7.25 1 3 0 36 260.362 2 ↓
Lo Low (pH 4.5-6) 2.10 5.97 -25.25 2 3 1 38 261.37 2 ↓

Analogs

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Popular Name: (2-isoindolin-2-ylthiazol-5-yl)methanol (2-isoindolin-2-ylthiazol-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) 1.66 4.21 -8.56 1 3 0 36 232.308 2 ↓
Lo Low (pH 4.5-6) 1.66 4.71 -27.59 2 3 1 38 233.316 2 ↓

Analogs

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Popular Name: (1S)-1-(2-isoindolin-2-ylthiazol-5-yl)ethanol (1S)-1-(2-isoindolin-2-ylthiazol…

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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 5.05 -6.99 1 3 0 36 246.335 2 ↓
Lo Low (pH 4.5-6) 1.88 5.53 -28.29 2 3 1 38 247.343 2 ↓

Analogs

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Popular Name: (1R)-1-(2-isoindolin-2-ylthiazol-5-yl)ethanol (1R)-1-(2-isoindolin-2-ylthiazol…

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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 5.04 -7.01 1 3 0 36 246.335 2 ↓
Lo Low (pH 4.5-6) 1.88 5.52 -28.25 2 3 1 38 247.343 2 ↓

Analogs

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Popular Name: 2-isoindolin-2-yl-4-methyl-thiazole-5-carbaldehyde 2-isoindolin-2-yl-4-methyl-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) 2.33 7.2 -9.76 0 3 0 33 244.319 2 ↓

Analogs

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Popular Name: 4-ethyl-2-isoindolin-2-yl-thiazole-5-carbaldehyde 4-ethyl-2-isoindolin-2-yl-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) 2.90 7.93 -9.27 0 3 0 33 258.346 3 ↓

Analogs

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Popular Name: 2-isoindolin-2-yl-4-propyl-thiazole-5-carbaldehyde 2-isoindolin-2-yl-4-propyl-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) 3.41 8.71 -8.92 0 3 0 33 272.373 4 ↓

Analogs

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Popular Name: 4-tert-butyl-2-isoindolin-2-yl-thiazole-5-carbaldehyde 4-tert-butyl-2-isoindolin-2-yl-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) 4.05 8.98 -8.43 0 3 0 33 286.4 3 ↓

Analogs

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Popular Name: 2-isoindolin-2-yl-4-methyl-thiazole-5-carboxylic 2-isoindolin-2-yl-4-methyl-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) 2.11 8.01 -49.75 0 4 -1 56 259.31 2 ↓
Lo Low (pH 4.5-6) 2.11 8.44 -37.5 1 4 0 58 260.318 2 ↓

Analogs

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Popular Name: 4-tert-butyl-2-isoindolin-2-yl-thiazole-5-carboxylic 4-tert-butyl-2-isoindolin-2-yl-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) 3.84 9.77 -48.16 0 4 -1 56 301.391 3 ↓
Lo Low (pH 4.5-6) 3.84 10.14 -34.11 1 4 0 58 302.399 3 ↓

Analogs

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Popular Name: 4-ethyl-2-isoindolin-2-yl-thiazole-5-carboxylic 4-ethyl-2-isoindolin-2-yl-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) 2.68 8.73 -50.12 0 4 -1 56 273.337 3 ↓
Lo Low (pH 4.5-6) 2.68 9.13 -37.29 1 4 0 58 274.345 3 ↓

Analogs

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Popular Name: 2-isoindolin-2-yl-4-propyl-thiazole-5-carboxylic 2-isoindolin-2-yl-4-propyl-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) 3.19 9.51 -50.59 0 4 -1 56 287.364 4 ↓
Mid Mid (pH 6-8) 3.19 9.9 -37.36 1 4 0 58 288.372 4 ↓

Analogs

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Popular Name: N-[(2-isoindolin-2-yl-4-propyl-thiazol-5-yl)methyl]ethanamine N-[(2-isoindolin-2-yl-4-propyl-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) 3.55 9.76 -41.7 2 3 1 33 302.467 6 ↓
Hi High (pH 8-9.5) 3.55 8.38 -5.92 1 3 0 28 301.459 6 ↓

Analogs

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Popular Name: (2-isoindolin-2-yl-4-methyl-thiazol-5-yl)methanamine (2-isoindolin-2-yl-4-methyl-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) 1.73 5.46 -48.11 3 3 1 44 246.359 2 ↓
Mid Mid (pH 6-8) 1.73 5.06 -6.82 2 3 0 42 245.351 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-tert-butyl-2-isoindolin-2-yl-thiazol-5-yl)methanamine (4-tert-butyl-2-isoindolin-2-yl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.45 7.34 -48.18 3 3 1 44 288.44 3 ↓
Mid Mid (pH 6-8) 3.45 6.95 -6.46 2 3 0 42 287.432 3 ↓

Analogs

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Popular Name: (4-ethyl-2-isoindolin-2-yl-thiazol-5-yl)methanamine (4-ethyl-2-isoindolin-2-yl-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) 2.30 6.24 -48.32 3 3 1 44 260.386 3 ↓
Mid Mid (pH 6-8) 2.30 5.86 -6.86 2 3 0 42 259.378 3 ↓

Analogs

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Popular Name: (2-isoindolin-2-yl-4-propyl-thiazol-5-yl)methanamine (2-isoindolin-2-yl-4-propyl-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) 2.80 7.02 -48.73 3 3 1 44 274.413 4 ↓
Mid Mid (pH 6-8) 2.80 6.64 -6.71 2 3 0 42 273.405 4 ↓

Analogs

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Popular Name: 1-(2-isoindolin-2-yl-4-methyl-thiazol-5-yl)-N-methyl-methanamine 1-(2-isoindolin-2-yl-4-methyl-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) 2.10 7.33 -42.4 2 3 1 33 260.386 3 ↓
Hi High (pH 8-9.5) 2.10 5.88 -6.41 1 3 0 28 259.378 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-isoindolin-2-yl-4-methyl-thiazol-5-yl)methyl]ethanamine N-[(2-isoindolin-2-yl-4-methyl-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) 2.48 8.21 -41.61 2 3 1 33 274.413 4 ↓
Hi High (pH 8-9.5) 2.48 6.84 -5.98 1 3 0 28 273.405 4 ↓

Analogs

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Popular Name: N-[(2-isoindolin-2-yl-4-methyl-thiazol-5-yl)methyl]propan-1-amine N-[(2-isoindolin-2-yl-4-methyl-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) 2.98 8.97 -42.35 2 3 1 33 288.44 5 ↓
Hi High (pH 8-9.5) 2.98 7.61 -5.9 1 3 0 28 287.432 5 ↓

Analogs

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Popular Name: N-[(2-isoindolin-2-yl-4-methyl-thiazol-5-yl)methyl]propan-2-amine N-[(2-isoindolin-2-yl-4-methyl-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) 2.77 8.71 -39.68 2 3 1 33 288.44 4 ↓
Hi High (pH 8-9.5) 2.77 7.5 -6.07 1 3 0 28 287.432 4 ↓

Parameters Provided:

ring.id = 157581
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 157581 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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