UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39384996
39384996
19850311
19850311

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Popular Name: 2-(4-ethylpiperazin-1-yl)-N-thiazol-2-yl-acetamide 2-(4-ethylpiperazin-1-yl)-N-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) 0.84 3.66 -41.13 2 5 1 50 255.367 4 ↓
Hi High (pH 8-9.5) 0.84 1.49 -15.07 1 5 0 48 254.359 4 ↓
Mid Mid (pH 6-8) 0.65 2.64 -30.58 1 5 0 56 254.359 4 ↓

Analogs

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Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-(4-ethyl-5-methyl-thiazol-2-yl)acetamide 2-[4-(2,2-difluoroethyl)piperazi…

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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) 2.04 3.5 -12.2 1 5 0 48 332.42 6 ↓
Lo Low (pH 4.5-6) 2.04 5.64 -41.7 2 5 1 50 333.428 6 ↓

Analogs

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Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-(4-methylthiazol-2-yl)acetamide 2-[4-(2,2-difluoroethyl)piperazi…

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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 2.03 -11.74 1 5 0 48 304.366 5 ↓
Lo Low (pH 4.5-6) 1.25 4.17 -41.67 2 5 1 50 305.374 5 ↓

Analogs

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Popular Name: (2R)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-(4,5-dimethylthiazol-2-yl)propanamide (2R)-2-[4-(2,2-difluoroethyl)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) 1.44 3.43 -16.49 1 5 0 48 332.42 5 ↓
Lo Low (pH 4.5-6) 1.44 5.54 -41.92 2 5 1 50 333.428 5 ↓

Analogs

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Popular Name: (2S)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-(4,5-dimethylthiazol-2-yl)propanamide (2S)-2-[4-(2,2-difluoroethyl)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) 1.44 3.49 -15.04 1 5 0 48 332.42 5 ↓
Lo Low (pH 4.5-6) 1.44 5.6 -45.38 2 5 1 50 333.428 5 ↓

Analogs

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Popular Name: (2S)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-thiazol-2-yl-propanamide (2S)-2-[4-(2,2-difluoroethyl)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) 0.99 2.16 -14.6 1 5 0 48 304.366 5 ↓
Lo Low (pH 4.5-6) 0.99 4.27 -45.16 2 5 1 50 305.374 5 ↓

Analogs

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Popular Name: (2R)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-thiazol-2-yl-propanamide (2R)-2-[4-(2,2-difluoroethyl)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) 0.99 2.1 -16.06 1 5 0 48 304.366 5 ↓
Lo Low (pH 4.5-6) 0.99 4.21 -41.75 2 5 1 50 305.374 5 ↓

Analogs

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Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-thiazol-2-yl-acetamide 2-[4-(2,2-difluoroethyl)piperazi…

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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 1.76 -16.46 1 5 0 48 290.339 5 ↓
Lo Low (pH 4.5-6) 1.03 3.9 -43.05 2 5 1 50 291.347 5 ↓

Analogs

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Popular Name: N-(4,5-dimethylthiazol-2-yl)-2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide N-(4,5-dimethylthiazol-2-yl)-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) 1.75 5.54 -40.43 2 6 1 59 341.501 7 ↓
Mid Mid (pH 6-8) 1.75 3.37 -15.6 1 6 0 58 340.493 7 ↓

Analogs

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Popular Name: N-(4,5-dimethylthiazol-2-yl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide N-(4,5-dimethylthiazol-2-yl)-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) 1.75 5.25 -38.46 2 6 1 59 341.501 7 ↓
Mid Mid (pH 6-8) 1.75 2.99 -14.42 1 6 0 58 340.493 7 ↓

Analogs

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Popular Name: 2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-N-(4-methylthiazol-2-yl)acetamide 2-[(3R)-3-ethyl-4-(2-methoxyethy…

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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) 1.53 4.48 -38.19 2 6 1 59 327.474 7 ↓
Mid Mid (pH 6-8) 1.53 2.31 -10.18 1 6 0 58 326.466 7 ↓

Analogs

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Popular Name: 2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-N-(4-methylthiazol-2-yl)acetamide 2-[(3S)-3-ethyl-4-(2-methoxyethy…

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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) 1.53 4.19 -36.91 2 6 1 59 327.474 7 ↓
Mid Mid (pH 6-8) 1.53 1.93 -9.52 1 6 0 58 326.466 7 ↓

Analogs

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Popular Name: N-(4-ethyl-5-methyl-thiazol-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide N-(4-ethyl-5-methyl-thiazol-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) 0.84 -0.19 -11.36 2 6 0 69 312.439 6 ↓
Mid Mid (pH 6-8) 0.84 2.16 -39.09 3 6 1 70 313.447 6 ↓

Analogs

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Popular Name: N-(4-ethyl-5-methyl-thiazol-2-yl)-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide N-(4-ethyl-5-methyl-thiazol-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) 1.46 4.56 -38.93 2 6 1 59 327.474 7 ↓
Mid Mid (pH 6-8) 1.46 2.21 -10.39 1 6 0 58 326.466 7 ↓

Analogs

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Popular Name: 2-[(3S)-4-(2-ethoxyethyl)-3-methyl-piperazin-1-yl]-N-methyl-N-thiazol-2-yl-acetamide 2-[(3S)-4-(2-ethoxyethyl)-3-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) 1.03 5.8 -39.71 1 6 1 50 327.474 7 ↓
Mid Mid (pH 6-8) 1.03 3.57 -15.53 0 6 0 49 326.466 7 ↓

Analogs

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Popular Name: 2-[(3R)-4-(2-methoxyethyl)-3-methyl-piperazin-1-yl]-N-methyl-N-thiazol-2-yl-acetamide 2-[(3R)-4-(2-methoxyethyl)-3-met…

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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) 0.65 5.17 -41.8 1 6 1 50 313.447 6 ↓
Mid Mid (pH 6-8) 0.65 2.99 -16.94 0 6 0 49 312.439 6 ↓

Analogs

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Popular Name: 2-[(3S)-4-(2-methoxyethyl)-3-methyl-piperazin-1-yl]-N-methyl-N-thiazol-2-yl-acetamide 2-[(3S)-4-(2-methoxyethyl)-3-met…

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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) 0.65 4.84 -39.8 1 6 1 50 313.447 6 ↓
Mid Mid (pH 6-8) 0.65 2.59 -15.65 0 6 0 49 312.439 6 ↓

Analogs

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Popular Name: N-(4-ethyl-5-methyl-thiazol-2-yl)-2-[(3R)-4-(2-methoxyethyl)-3-methyl-piperazin-1-yl]acetamide N-(4-ethyl-5-methyl-thiazol-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) 1.79 5.37 -37.99 2 6 1 59 341.501 7 ↓
Mid Mid (pH 6-8) 1.79 3.19 -10.77 1 6 0 58 340.493 7 ↓

Analogs

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Popular Name: 2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-N-methyl-N-thiazol-2-yl-acetamide 2-[(3R)-3-ethyl-4-(2-methoxyethy…

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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 5.75 -41.91 1 6 1 50 327.474 7 ↓
Mid Mid (pH 6-8) 1.19 3.58 -16.72 0 6 0 49 326.466 7 ↓

Analogs

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Popular Name: 2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-N-methyl-N-thiazol-2-yl-acetamide 2-[(3S)-3-ethyl-4-(2-methoxyethy…

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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 5.46 -39.68 1 6 1 50 327.474 7 ↓
Mid Mid (pH 6-8) 1.19 3.21 -15.35 0 6 0 49 326.466 7 ↓

Analogs

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Popular Name: (2R)-N-(4,5-dimethylthiazol-2-yl)-2-[(3R)-4-(2-methoxyethyl)-3-methyl-piperazin-1-yl]propanamide (2R)-N-(4,5-dimethylthiazol-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) 1.18 5.27 -39.16 2 6 1 59 341.501 6 ↓
Mid Mid (pH 6-8) 1.18 3.11 -15.34 1 6 0 58 340.493 6 ↓

Analogs

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Popular Name: (2S)-N-(4,5-dimethylthiazol-2-yl)-2-[(3R)-4-(2-methoxyethyl)-3-methyl-piperazin-1-yl]propanamide (2S)-N-(4,5-dimethylthiazol-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) 1.18 5.29 -38.97 2 6 1 59 341.501 6 ↓
Mid Mid (pH 6-8) 1.18 3.06 -14.03 1 6 0 58 340.493 6 ↓

Analogs

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Popular Name: (2R)-N-(4,5-dimethylthiazol-2-yl)-2-[4-(2-methoxyethyl)piperazin-1-yl]propanamide (2R)-N-(4,5-dimethylthiazol-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) 0.85 4.46 -39.45 2 6 1 59 327.474 6 ↓
Mid Mid (pH 6-8) 0.85 2.14 -14.47 1 6 0 58 326.466 6 ↓

Analogs

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Popular Name: (2S)-N-(4,5-dimethylthiazol-2-yl)-2-[4-(2-methoxyethyl)piperazin-1-yl]propanamide (2S)-N-(4,5-dimethylthiazol-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) 0.85 4.48 -40.37 2 6 1 59 327.474 6 ↓
Mid Mid (pH 6-8) 0.85 2.15 -14.49 1 6 0 58 326.466 6 ↓

Analogs

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Popular Name: (2R)-N-(4,5-dimethylthiazol-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide (2R)-N-(4,5-dimethylthiazol-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) 0.23 -0.26 -15.54 2 6 0 69 312.439 5 ↓
Mid Mid (pH 6-8) 0.23 2.06 -39.81 3 6 1 70 313.447 5 ↓

Analogs

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Popular Name: (2S)-N-(4,5-dimethylthiazol-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide (2S)-N-(4,5-dimethylthiazol-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) 0.23 -0.27 -15.18 2 6 0 69 312.439 5 ↓
Mid Mid (pH 6-8) 0.23 2.08 -40.39 3 6 1 70 313.447 5 ↓

Analogs

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Popular Name: N-(4-isopropylthiazol-2-yl)-2-piperazin-1-yl-acetamide N-(4-isopropylthiazol-2-yl)-2-pi…

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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) 1.14 2.31 -44.67 3 5 1 62 269.394 4 ↓
Hi High (pH 8-9.5) 1.14 0.95 -8.56 2 5 0 57 268.386 4 ↓

Analogs

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Popular Name: (2R)-N-(4-isopropylthiazol-2-yl)-2-piperazin-1-yl-propanamide (2R)-N-(4-isopropylthiazol-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) 1.11 2.64 -44.36 3 5 1 62 283.421 4 ↓
Hi High (pH 8-9.5) 1.11 1.3 -8.02 2 5 0 57 282.413 4 ↓

Analogs

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Popular Name: (2S)-N-(4-isopropylthiazol-2-yl)-2-piperazin-1-yl-propanamide (2S)-N-(4-isopropylthiazol-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) 1.11 2.7 -44.24 3 5 1 62 283.421 4 ↓
Hi High (pH 8-9.5) 1.11 1.36 -8.04 2 5 0 57 282.413 4 ↓

Analogs

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Popular Name: N-methyl-2-(4-methylsulfonylpiperazin-1-yl)-N-thiazol-2-yl-acetamide N-methyl-2-(4-methylsulfonylpipe…

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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) -0.29 1.2 -20.77 0 7 0 74 318.424 4 ↓
Mid Mid (pH 6-8) -0.29 3.35 -55.04 1 7 1 75 319.432 4 ↓

Parameters Provided:

ring.id = 126824
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 = 126824 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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