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Analogs

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Popular Name: 1-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-pyrazol-3-amine 1-methyl-4-[4-(2,2,2-trifluoroet…

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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) 0.05 -0.01 -13.17 2 7 0 84 327.332 4 ↓
Lo Low (pH 4.5-6) 0.05 2.07 -51.98 3 7 1 86 328.34 4 ↓

Analogs

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Popular Name: 1-[4-(3-amino-1-methyl-pyrazol-4-yl)sulfonylpiperazin-1-yl]-2-methyl-propan-1-one 1-[4-(3-amino-1-methyl-pyrazol-4…

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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) -0.43 1.33 -16.89 2 8 0 102 315.399 3 ↓

Analogs

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Popular Name: 4-(3-amino-1-methyl-pyrazol-4-yl)sulfonyl-N,N-dimethyl-piperazine-1-carboxamide 4-(3-amino-1-methyl-pyrazol-4-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) -1.37 0.39 -18.08 2 9 0 105 316.387 2 ↓

Analogs

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Popular Name: 4-(4-isobutylpiperazin-1-yl)sulfonyl-1H-pyrazol-3-amine 4-(4-isobutylpiperazin-1-yl)sulf…

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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 -0.09 -10.28 3 7 0 95 287.389 4 ↓
Mid Mid (pH 6-8) 0.18 1.81 -48.49 4 7 1 97 288.397 4 ↓

Analogs

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Popular Name: 4-(4-isobutylpiperazin-1-yl)sulfonyl-1-methyl-pyrazol-3-amine 4-(4-isobutylpiperazin-1-yl)sulf…

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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) 0.25 1.19 -11.35 2 7 0 84 301.416 4 ↓
Mid Mid (pH 6-8) 0.25 3.11 -46.87 3 7 1 86 302.424 4 ↓

Analogs

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Popular Name: 1-ethyl-4-(4-isobutylpiperazin-1-yl)sulfonyl-pyrazol-3-amine 1-ethyl-4-(4-isobutylpiperazin-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) 0.63 2.05 -10.82 2 7 0 84 315.443 5 ↓
Mid Mid (pH 6-8) 0.63 3.98 -46.59 3 7 1 86 316.451 5 ↓

Analogs

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Popular Name: 1-methyl-4-(4-prop-2-ynylpiperazin-1-yl)sulfonyl-pyrazol-3-amine 1-methyl-4-(4-prop-2-ynylpiperaz…

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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) -0.71 -0.03 -12.68 2 7 0 84 283.357 3 ↓
Lo Low (pH 4.5-6) -0.71 2.24 -47.88 3 7 1 86 284.365 3 ↓

Analogs

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Popular Name: 1-ethyl-4-(4-prop-2-ynylpiperazin-1-yl)sulfonyl-pyrazol-3-amine 1-ethyl-4-(4-prop-2-ynylpiperazi…

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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) -0.34 0.84 -12.53 2 7 0 84 297.384 4 ↓
Lo Low (pH 4.5-6) -0.34 3.1 -47.68 3 7 1 86 298.392 4 ↓

Analogs

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Popular Name: 1-propyl-4-(4-prop-2-ynylpiperazin-1-yl)sulfonyl-pyrazol-3-amine 1-propyl-4-(4-prop-2-ynylpiperaz…

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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) 0.17 1.6 -12.11 2 7 0 84 311.411 5 ↓
Lo Low (pH 4.5-6) 0.17 3.86 -47.52 3 7 1 86 312.419 5 ↓

Analogs

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Popular Name: 4-(4-isopentylpiperazin-1-yl)sulfonyl-1H-pyrazol-3-amine 4-(4-isopentylpiperazin-1-yl)sul…

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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) 0.71 2.43 -48.41 4 7 1 97 302.424 5 ↓
Ref Reference (pH 7) 0.71 2.42 -50.33 4 7 1 97 302.424 5 ↓
Mid Mid (pH 6-8) 0.71 0.22 -10.34 3 7 0 95 301.416 5 ↓

Analogs

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Popular Name: 4-(4-isopentylpiperazin-1-yl)sulfonyl-1-methyl-pyrazol-3-amine 4-(4-isopentylpiperazin-1-yl)sul…

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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) 0.78 3.73 -48.68 3 7 1 86 316.451 5 ↓
Mid Mid (pH 6-8) 0.78 1.52 -11.18 2 7 0 84 315.443 5 ↓

Analogs

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Popular Name: methyl 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) -1.01 -0.36 -15.22 2 9 0 111 317.371 5 ↓
Lo Low (pH 4.5-6) -1.01 1.8 -50.87 3 9 1 112 318.379 5 ↓

Analogs

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Popular Name: 1-isopentyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-piperazine 1-isopentyl-4-(1,3,5-trimethylpy…

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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) 1.62 6.05 -49.03 1 6 1 60 329.49 5 ↓
Mid Mid (pH 6-8) 1.62 3.84 -10.42 0 6 0 58 328.482 5 ↓

Analogs

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Popular Name: 1-(3,3-dimethylbutyl)-4-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-piperazine 1-(3,3-dimethylbutyl)-4-(1,3,5-t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.94 6.42 -49.48 1 6 1 60 343.517 5 ↓
Mid Mid (pH 6-8) 1.94 4.23 -10.37 0 6 0 58 342.509 5 ↓

Analogs

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Popular Name: 1-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-4-(2,2-difluoroethyl)piperazine 1-(5-chloro-1,3-dimethyl-pyrazol…

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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 2.01 -10.98 0 6 0 58 342.799 4 ↓

Analogs

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Popular Name: 1-(2,2-difluoroethyl)-4-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-piperazine 1-(2,2-difluoroethyl)-4-(1,3,5-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) 0.53 2.19 -13.67 0 6 0 58 322.381 4 ↓

Analogs

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Popular Name: (2S,6R)-2,6-dimethyl-1-(1H-pyrazol-4-ylsulfonyl)piperazine (2S,6R)-2,6-dimethyl-1-(1H-pyraz…

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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) -0.48 -0.04 -51.73 3 6 1 83 245.328 2 ↓
Mid Mid (pH 6-8) -0.48 -1.39 -9.45 2 6 0 78 244.32 2 ↓

Analogs

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Popular Name: (2S,6S)-2,6-dimethyl-1-(1H-pyrazol-4-ylsulfonyl)piperazine (2S,6S)-2,6-dimethyl-1-(1H-pyraz…

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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) -0.48 -0.28 -51.2 3 6 1 83 245.328 2 ↓
Mid Mid (pH 6-8) -0.48 -1.62 -10.33 2 6 0 78 244.32 2 ↓

Analogs

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Popular Name: (2R,6R)-2,6-dimethyl-1-(1H-pyrazol-4-ylsulfonyl)piperazine (2R,6R)-2,6-dimethyl-1-(1H-pyraz…

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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) -0.48 -0.29 -50.74 3 6 1 83 245.328 2 ↓
Mid Mid (pH 6-8) -0.48 -1.62 -10.06 2 6 0 78 244.32 2 ↓

Analogs

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Popular Name: (2S,6R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,6-dimethyl-piperazine (2S,6R)-1-[(3,5-dimethyl-1H-pyra…

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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) -0.04 0.97 -51.3 3 6 1 83 273.382 2 ↓
Mid Mid (pH 6-8) -0.04 -0.35 -9 2 6 0 78 272.374 2 ↓

Analogs

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Popular Name: (2S,6S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,6-dimethyl-piperazine (2S,6S)-1-[(3,5-dimethyl-1H-pyra…

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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) -0.04 0.94 -51.29 3 6 1 83 273.382 2 ↓
Mid Mid (pH 6-8) -0.04 -0.24 -9.25 2 6 0 78 272.374 2 ↓

Analogs

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Popular Name: (2R,6R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,6-dimethyl-piperazine (2R,6R)-1-[(3,5-dimethyl-1H-pyra…

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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) -0.04 0.95 -50.75 3 6 1 83 273.382 2 ↓
Mid Mid (pH 6-8) -0.04 -0.25 -9.19 2 6 0 78 272.374 2 ↓

Analogs

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Popular Name: (2S,6R)-2,6-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine (2S,6R)-2,6-dimethyl-1-[(5-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) -0.26 -0.2 -56.46 3 6 1 83 259.355 2 ↓
Hi High (pH 8-9.5) -0.26 -1.53 -9.32 2 6 0 78 258.347 2 ↓

Analogs

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Popular Name: (2S,6S)-2,6-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine (2S,6S)-2,6-dimethyl-1-[(5-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) -0.26 -0.21 -55.77 3 6 1 83 259.355 2 ↓
Hi High (pH 8-9.5) -0.26 -1.41 -9.91 2 6 0 78 258.347 2 ↓

Analogs

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Popular Name: (2R,6R)-2,6-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine (2R,6R)-2,6-dimethyl-1-[(5-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) -0.26 0.06 -51.95 3 6 1 83 259.355 2 ↓
Hi High (pH 8-9.5) -0.26 -1.09 -9.71 2 6 0 78 258.347 2 ↓

Analogs

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Popular Name: (2S,6R)-2,6-dimethyl-1-(1-methylpyrazol-4-yl)sulfonyl-piperazine (2S,6R)-2,6-dimethyl-1-(1-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) -0.42 1.26 -52.2 2 6 1 72 259.355 2 ↓
Mid Mid (pH 6-8) -0.42 -0.07 -10.18 1 6 0 67 258.347 2 ↓

Analogs

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Popular Name: (2S,6S)-2,6-dimethyl-1-(1-methylpyrazol-4-yl)sulfonyl-piperazine (2S,6S)-2,6-dimethyl-1-(1-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) -0.42 1.04 -51.26 2 6 1 72 259.355 2 ↓
Mid Mid (pH 6-8) -0.42 -0.31 -10.76 1 6 0 67 258.347 2 ↓

Analogs

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Popular Name: (2R,6R)-2,6-dimethyl-1-(1-methylpyrazol-4-yl)sulfonyl-piperazine (2R,6R)-2,6-dimethyl-1-(1-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) -0.42 1.03 -51.81 2 6 1 72 259.355 2 ↓
Mid Mid (pH 6-8) -0.42 -0.31 -11.05 1 6 0 67 258.347 2 ↓

Analogs

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Popular Name: (2S,6R)-2,6-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-piperazine (2S,6R)-2,6-dimethyl-1-(1,3,5-tr…

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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) 0.03 2.18 -52.34 2 6 1 72 287.409 2 ↓
Mid Mid (pH 6-8) 0.03 0.85 -10.38 1 6 0 67 286.401 2 ↓

Analogs

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Popular Name: (2S,6S)-2,6-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-piperazine (2S,6S)-2,6-dimethyl-1-(1,3,5-tr…

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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) 0.03 2.16 -51.57 2 6 1 72 287.409 2 ↓
Mid Mid (pH 6-8) 0.03 0.96 -10.48 1 6 0 67 286.401 2 ↓

Analogs

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Popular Name: (2R,6R)-2,6-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-piperazine (2R,6R)-2,6-dimethyl-1-(1,3,5-tr…

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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) 0.03 2.18 -52.33 2 6 1 72 287.409 2 ↓
Mid Mid (pH 6-8) 0.03 0.95 -10.58 1 6 0 67 286.401 2 ↓

Analogs

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Popular Name: 1-methyl-4-[4-[(1R)-1-methylpropyl]piperazin-1-yl]sulfonyl-pyrazol-3-amine 1-methyl-4-[4-[(1R)-1-methylprop…

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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) 0.34 2.75 -44.88 3 7 1 86 302.424 4 ↓
Mid Mid (pH 6-8) 0.34 0.9 -11.24 2 7 0 84 301.416 4 ↓

Analogs

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Popular Name: 1-methyl-4-[4-[(1S)-1-methylpropyl]piperazin-1-yl]sulfonyl-pyrazol-3-amine 1-methyl-4-[4-[(1S)-1-methylprop…

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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) 0.34 2.79 -44.92 3 7 1 86 302.424 4 ↓
Mid Mid (pH 6-8) 0.34 0.94 -10.95 2 7 0 84 301.416 4 ↓

Analogs

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Popular Name: 1-ethyl-4-[4-[(1R)-1-methylpropyl]piperazin-1-yl]sulfonyl-pyrazol-3-amine 1-ethyl-4-[4-[(1R)-1-methylpropy…

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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) 0.71 3.61 -44.55 3 7 1 86 316.451 5 ↓
Mid Mid (pH 6-8) 0.71 1.77 -11.03 2 7 0 84 315.443 5 ↓

Analogs

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Popular Name: 1-ethyl-4-[4-[(1S)-1-methylpropyl]piperazin-1-yl]sulfonyl-pyrazol-3-amine 1-ethyl-4-[4-[(1S)-1-methylpropy…

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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) 0.71 3.65 -44.61 3 7 1 86 316.451 5 ↓
Mid Mid (pH 6-8) 0.71 1.81 -10.73 2 7 0 84 315.443 5 ↓

Analogs

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Popular Name: 1-[(1R)-1-methylpropyl]-4-(1H-pyrazol-4-ylsulfonyl)piperazine 1-[(1R)-1-methylpropyl]-4-(1H-py…

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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) 0.66 2.48 -44.15 2 6 1 70 273.382 4 ↓
Mid Mid (pH 6-8) 0.66 0.63 -10.19 1 6 0 69 272.374 4 ↓

Analogs

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Popular Name: 1-[(1S)-1-methylpropyl]-4-(1H-pyrazol-4-ylsulfonyl)piperazine 1-[(1S)-1-methylpropyl]-4-(1H-py…

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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) 0.66 2.45 -44.84 2 6 1 70 273.382 4 ↓
Mid Mid (pH 6-8) 0.66 0.6 -9.92 1 6 0 69 272.374 4 ↓

Analogs

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Popular Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(1R)-1-methylpropyl]piperazine 1-[(3,5-dimethyl-1H-pyrazol-4-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) 1.10 3.86 -43.95 2 6 1 70 301.436 4 ↓
Mid Mid (pH 6-8) 1.10 2 -9.28 1 6 0 69 300.428 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(1S)-1-methylpropyl]piperazine 1-[(3,5-dimethyl-1H-pyrazol-4-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) 1.10 3.79 -44.53 2 6 1 70 301.436 4 ↓
Mid Mid (pH 6-8) 1.10 1.94 -9.05 1 6 0 69 300.428 4 ↓

Analogs

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Popular Name: 1-[(1R)-1-methylpropyl]-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine 1-[(1R)-1-methylpropyl]-4-[(5-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) 0.88 2.92 -46.52 2 6 1 70 287.409 4 ↓
Mid Mid (pH 6-8) 0.88 1.11 -9.99 1 6 0 69 286.401 4 ↓

Analogs

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Popular Name: 1-[(1S)-1-methylpropyl]-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine 1-[(1S)-1-methylpropyl]-4-[(5-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) 0.88 2.75 -47.65 2 6 1 70 287.409 4 ↓
Mid Mid (pH 6-8) 0.88 0.92 -9.59 1 6 0 69 286.401 4 ↓

Analogs

43411141
43411141
45684284
45684284
45684287
45684287
45684290
45684290
45684293
45684293

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Popular Name: 1-methyl-4-(4-methylsulfonylpiperazin-1-yl)sulfonyl-pyrazol-3-amine 1-methyl-4-(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) -1.50 -2.28 -18.78 2 9 0 119 323.4 3 ↓

Analogs

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Popular Name: methyl 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) -1.02 -0.04 -15.52 2 9 0 111 303.344 3 ↓

Analogs

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Popular Name: methyl 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) -0.65 0.82 -15.37 2 9 0 111 317.371 4 ↓

Analogs

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Popular Name: 4-(3-amino-1-methyl-pyrazol-4-yl)sulfonylpiperazine-1-sulfonamide 4-(3-amino-1-methyl-pyrazol-4-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) -2.11 -4.91 -18.42 4 10 0 145 324.388 3 ↓
Hi High (pH 8-9.5) -2.11 -4.42 -46.32 3 10 -1 142 323.38 3 ↓

Analogs

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Popular Name: 4-(3-amino-1-ethyl-pyrazol-4-yl)sulfonylpiperazine-1-sulfonamide 4-(3-amino-1-ethyl-pyrazol-4-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) -1.74 -4.04 -18.32 4 10 0 145 338.415 4 ↓
Hi High (pH 8-9.5) -1.74 -3.56 -46.17 3 10 -1 142 337.407 4 ↓

Analogs

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Popular Name: 1-tert-butyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine 1-tert-butyl-4-[(5-methyl-1H-pyr…

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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) 0.86 2.45 -46.44 2 6 1 70 287.409 3 ↓
Mid Mid (pH 6-8) 0.86 0.32 -9.74 1 6 0 69 286.401 3 ↓

Analogs

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Popular Name: methyl 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) -0.63 0.9 -15.43 0 8 0 85 288.329 3 ↓

Analogs

37840956
37840956
37840866
37840866
37840681
37840681
37840495
37840495
37840042
37840042

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]acetamide 2-[4-(1H-pyrazol-4-ylsulfonyl)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) -1.82 -4.58 -17.28 3 8 0 112 273.318 4 ↓
Mid Mid (pH 6-8) -1.82 -2.43 -52.74 4 8 1 114 274.326 4 ↓

Analogs

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Popular Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-ethyl-piperazine-1-carboxamide 4-[(3,5-dimethyl-1H-pyrazol-4-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) 0.47 0.9 -16.27 2 8 0 98 315.399 3 ↓

Parameters Provided:

ring.id = 14117
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 = 14117 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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