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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-propylpiperazin-1-yl)sulfonylthiophene-2-carboxamide 4-(4-propylpiperazin-1-yl)sulfon…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.67 -0.71 -15.02 2 6 0 84 317.436 5 ↓

Analogs

37838422
37838422
37838970
37838970
37987913
37987913
37987914
37987914
45702593
45702593

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Popular Name: 5-bromo-4-(4-ethylpiperazin-1-yl)sulfonyl-thiophene-2-carboxylic 5-bromo-4-(4-ethylpiperazin-1-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) 1.85 2.67 -46.02 0 6 -1 81 382.281 4 ↓
Mid Mid (pH 6-8) 1.85 4.91 -69.73 1 6 0 82 383.289 4 ↓

Analogs

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Popular Name: 1-[(2,5-dichloro-3-thienyl)sulfonyl]-4-methyl-piperazine 1-[(2,5-dichloro-3-thienyl)sulfo…

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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 4.15 -43.85 1 4 1 42 316.255 2 ↓
Mid Mid (pH 6-8) 2.33 1.78 -5.58 0 4 0 41 315.247 2 ↓

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) 1.80 3.53 -52.6 2 6 1 80 398.324 4 ↓
Mid Mid (pH 6-8) 1.80 2.22 -9.19 1 6 0 76 397.316 4 ↓

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) 1.80 3.29 -53.36 2 6 1 80 398.324 4 ↓
Mid Mid (pH 6-8) 1.80 2 -9.5 1 6 0 76 397.316 4 ↓

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) 1.80 3.54 -51.04 2 6 1 80 398.324 4 ↓
Mid Mid (pH 6-8) 1.80 2.21 -9.67 1 6 0 76 397.316 4 ↓

Analogs

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Popular Name: (2S,6R)-1-[(2,5-dimethyl-3-thienyl)sulfonyl]-2,6-dimethyl-piperazine (2S,6R)-1-[(2,5-dimethyl-3-thien…

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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) 1.24 3.81 -52.56 2 4 1 54 289.446 2 ↓
Mid Mid (pH 6-8) 1.24 2.48 -8.29 1 4 0 49 288.438 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-1-[(2,5-dimethyl-3-thienyl)sulfonyl]-2,6-dimethyl-piperazine (2S,6S)-1-[(2,5-dimethyl-3-thien…

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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) 1.24 3.53 -53.93 2 4 1 54 289.446 2 ↓
Mid Mid (pH 6-8) 1.24 2.42 -8.5 1 4 0 49 288.438 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-1-[(2,5-dimethyl-3-thienyl)sulfonyl]-2,6-dimethyl-piperazine (2R,6R)-1-[(2,5-dimethyl-3-thien…

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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) 1.24 3.66 -49.64 2 4 1 54 289.446 2 ↓
Mid Mid (pH 6-8) 1.24 2.3 -8.31 1 4 0 49 288.438 2 ↓

Analogs

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Popular Name: (2S,6R)-1-[(2,5-dibromo-3-thienyl)sulfonyl]-2,6-dimethyl-piperazine (2S,6R)-1-[(2,5-dibromo-3-thieny…

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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 3.17 -49.69 2 4 1 54 419.184 2 ↓
Mid Mid (pH 6-8) 2.66 2.21 -5.13 1 4 0 49 418.176 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-1-[(2,5-dibromo-3-thienyl)sulfonyl]-2,6-dimethyl-piperazine (2S,6S)-1-[(2,5-dibromo-3-thieny…

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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 3.28 -48.8 2 4 1 54 419.184 2 ↓
Mid Mid (pH 6-8) 2.66 1.97 -5.65 1 4 0 49 418.176 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-1-[(2,5-dibromo-3-thienyl)sulfonyl]-2,6-dimethyl-piperazine (2R,6R)-1-[(2,5-dibromo-3-thieny…

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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 3.51 -47.67 2 4 1 54 419.184 2 ↓
Mid Mid (pH 6-8) 2.66 2.14 -5.64 1 4 0 49 418.176 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-1-[(2,5-dichloro-3-thienyl)sulfonyl]-2,6-dimethyl-piperazine (2S,6R)-1-[(2,5-dichloro-3-thien…

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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) 2.40 3.03 -49.77 2 4 1 54 330.282 2 ↓
Mid Mid (pH 6-8) 2.40 2.11 -5.17 1 4 0 49 329.274 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-1-[(2,5-dichloro-3-thienyl)sulfonyl]-2,6-dimethyl-piperazine (2S,6S)-1-[(2,5-dichloro-3-thien…

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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) 2.40 3.13 -49.11 2 4 1 54 330.282 2 ↓
Mid Mid (pH 6-8) 2.40 1.78 -5.87 1 4 0 49 329.274 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-1-[(2,5-dichloro-3-thienyl)sulfonyl]-2,6-dimethyl-piperazine (2R,6R)-1-[(2,5-dichloro-3-thien…

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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) 2.40 3.3 -47.73 2 4 1 54 330.282 2 ↓
Mid Mid (pH 6-8) 2.40 1.89 -5.86 1 4 0 49 329.274 2 ↓

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) 0.87 3.07 -48.64 2 6 1 80 319.428 4 ↓
Mid Mid (pH 6-8) 0.87 1.75 -11.01 1 6 0 76 318.42 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 0.87 3.02 -50.66 2 6 1 80 319.428 4 ↓
Mid Mid (pH 6-8) 0.87 1.67 -11.85 1 6 0 76 318.42 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 0.87 3.21 -49.25 2 6 1 80 319.428 4 ↓
Mid Mid (pH 6-8) 0.87 1.84 -11.91 1 6 0 76 318.42 4 ↓

Analogs

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Popular Name: N-[(1S)-1,2-dimethylpropyl]-4-[(2,5-dimethyl-3-thienyl)sulfonyl]piperazine-1-carboxamide N-[(1S)-1,2-dimethylpropyl]-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) 2.83 5.71 -15.15 1 6 0 70 373.544 4 ↓

Analogs

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Popular Name: N-[(1R)-1,2-dimethylpropyl]-4-[(2,5-dimethyl-3-thienyl)sulfonyl]piperazine-1-carboxamide N-[(1R)-1,2-dimethylpropyl]-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) 2.83 5.39 -14.91 1 6 0 70 373.544 4 ↓

Analogs

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Popular Name: 3-[4-[(1R)-1-methylpropyl]piperazin-1-yl]sulfonylthiophene-2-carboxylic 3-[4-[(1R)-1-methylpropyl]pipera…

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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 6.46 -81.23 1 6 0 82 332.447 5 ↓
Mid Mid (pH 6-8) 1.75 4.54 -60.07 0 6 -1 81 331.439 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-[(1S)-1-methylpropyl]piperazin-1-yl]sulfonylthiophene-2-carboxylic 3-[4-[(1S)-1-methylpropyl]pipera…

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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 6.24 -84.91 1 6 0 82 332.447 5 ↓
Mid Mid (pH 6-8) 1.75 4.41 -58.45 0 6 -1 81 331.439 5 ↓

Analogs

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Popular Name: 2-[4-[(2,5-dichloro-3-thienyl)sulfonyl]piperazin-1-yl]acetonitrile 2-[4-[(2,5-dichloro-3-thienyl)su…

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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) 2.12 2.28 -11.69 0 5 0 64 340.257 3 ↓

Analogs

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Popular Name: 3-[4-[(2,5-dimethyl-3-thienyl)sulfonyl]piperazin-1-yl]propan-1-ol 3-[4-[(2,5-dimethyl-3-thienyl)su…

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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) 0.81 0.33 -10.68 1 5 0 61 318.464 5 ↓
Mid Mid (pH 6-8) 0.81 2.54 -50.32 2 5 1 62 319.472 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(2,5-dimethyl-3-thienyl)sulfonyl]piperazin-1-yl]acetonitrile 2-[4-[(2,5-dimethyl-3-thienyl)su…

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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) 0.96 2.62 -14.22 0 5 0 64 299.421 3 ↓
Lo Low (pH 4.5-6) 0.96 4.86 -60.95 1 5 1 66 300.429 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(E)-but-2-enyl]-4-[(2,5-dimethyl-3-thienyl)sulfonyl]piperazine 1-[(E)-but-2-enyl]-4-[(2,5-dimet…

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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) 2.07 4.33 -8.6 0 4 0 41 314.476 4 ↓
Mid Mid (pH 6-8) 2.07 6.59 -47.34 1 4 1 42 315.484 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2,5-dimethyl-3-thienyl)sulfonyl]-4-methylsulfonyl-piperazine 1-[(2,5-dimethyl-3-thienyl)sulfo…

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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) 0.55 1.25 -16.98 0 6 0 75 338.476 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2,5-dimethyl-3-thienyl)sulfonyl]-N-methyl-piperazine-1-carboxamide 4-[(2,5-dimethyl-3-thienyl)sulfo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.38 2.56 -16 1 6 0 70 317.436 2 ↓

Analogs

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Popular Name: 1-[(2,5-dimethyl-3-thienyl)sulfonyl]-4-prop-2-ynyl-piperazine 1-[(2,5-dimethyl-3-thienyl)sulfo…

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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) 1.33 3.44 -9.64 0 4 0 41 298.433 3 ↓
Lo Low (pH 4.5-6) 1.33 5.71 -47.78 1 4 1 42 299.441 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(2,5-dimethyl-3-thienyl)sulfonyl]piperazin-1-yl]acetamide 2-[4-[(2,5-dimethyl-3-thienyl)su…

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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) -0.09 -0.79 -14.4 2 6 0 84 317.436 4 ↓
Mid Mid (pH 6-8) -0.09 1.38 -51 3 6 1 85 318.444 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-[(2,5-dimethyl-3-thienyl)sulfonyl]piperazin-1-yl]propanenitrile 3-[4-[(2,5-dimethyl-3-thienyl)su…

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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 3.4 -14.82 0 5 0 64 313.448 4 ↓
Lo Low (pH 4.5-6) 0.63 5.63 -65.32 1 5 1 66 314.456 4 ↓

Analogs

25873218
25873218

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(2,5-dimethyl-3-thienyl)sulfonyl]piperazin-1-yl]propan-1-one 1-[4-[(2,5-dimethyl-3-thienyl)su…

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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 4.48 -15.37 0 5 0 58 316.448 3 ↓

Analogs

37837776
37837776
37838435
37838435
37838975
37838975
45703225
45703225
15424063
15424063

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-ethylpiperazin-1-yl)sulfonylthiophene-2-carboxylic 3-(4-ethylpiperazin-1-yl)sulfony…

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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) 0.92 2.92 -58.53 0 6 -1 81 303.385 4 ↓
Mid Mid (pH 6-8) 0.92 5.15 -87.91 1 6 0 82 304.393 4 ↓

Analogs

37838435
37838435
37838975
37838975

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-acetylpiperazin-1-yl)sulfonylthiophene-2-carboxylic 3-(4-acetylpiperazin-1-yl)sulfon…

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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) -0.10 3.7 -63.12 0 7 -1 98 317.368 3 ↓

Analogs

37837776
37837776
37838435
37838435
37838975
37838975
45702893
45702893
45702896
45702896

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-propylpiperazin-1-yl)sulfonylthiophene-2-carboxylic 3-(4-propylpiperazin-1-yl)sulfon…

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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) 1.42 3.69 -58.43 0 6 -1 81 317.412 5 ↓
Mid Mid (pH 6-8) 1.42 5.89 -88.33 1 6 0 82 318.42 5 ↓

Analogs

37420978
37420978
36969673
36969673
35609601
35609601
35239279
35239279
37421127
37421127

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-4-(4-prop-2-ynylpiperazin-1-yl)sulfonyl-thiophene-2-carboxylic 5-bromo-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) 1.63 3.19 -46.56 0 6 -1 81 392.276 4 ↓
Lo Low (pH 4.5-6) 1.63 5.45 -69.8 1 6 0 82 393.284 4 ↓

Analogs

48411666
48411666
15424063
15424063
37326338
37326338

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-prop-2-ynylpiperazin-1-yl)sulfonylthiophene-2-carboxylic 3-(4-prop-2-ynylpiperazin-1-yl)s…

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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) 0.70 3.44 -60.15 0 6 -1 81 313.38 4 ↓
Lo Low (pH 4.5-6) 0.70 5.69 -89.74 1 6 0 82 314.388 4 ↓

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) 0.97 0.27 -14.78 1 7 0 87 368.864 6 ↓
Lo Low (pH 4.5-6) 0.97 2.58 -51.95 2 7 1 88 369.872 6 ↓

Parameters Provided:

ring.id = 70546
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 = 70546 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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