UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: ethyl ethyl

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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) 0.15 2.01 -9.49 1 7 0 79 305.4 5 ↓
Mid Mid (pH 6-8) 0.15 3.04 -48.97 2 7 1 84 306.408 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 0.15 2.1 -9.24 1 7 0 79 305.4 5 ↓
Mid Mid (pH 6-8) 0.15 3.06 -48.59 2 7 1 84 306.408 5 ↓

Analogs

20247310
20247310
20247312
20247312

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Popular Name: 1-[[(2R)-2-ethyl-1-piperidyl]sulfonyl]piperazine 1-[[(2R)-2-ethyl-1-piperidyl]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) 0.79 1 -6.94 1 5 0 53 261.391 3 ↓
Mid Mid (pH 6-8) 0.79 2.23 -52.88 2 5 1 57 262.399 3 ↓

Analogs

20247310
20247310
20247312
20247312

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Popular Name: 1-[[(2S)-2-ethyl-1-piperidyl]sulfonyl]piperazine 1-[[(2S)-2-ethyl-1-piperidyl]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) 0.79 1.08 -7.49 1 5 0 53 261.391 3 ↓
Mid Mid (pH 6-8) 0.79 2.39 -52.47 2 5 1 57 262.399 3 ↓

Analogs

20687109
20687109
8812170
8812170

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Popular Name: ethyl ethyl

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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) 0.32 2.06 -17.72 1 9 0 99 376.479 6 ↓

Analogs

20687109
20687109
8812170
8812170

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Popular Name: ethyl ethyl

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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) 0.32 2.29 -15.5 1 9 0 99 376.479 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 0.62 3.61 -17.39 0 8 0 94 330.41 4 ↓

Analogs

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Popular Name: (2S,6R)-2,6-dimethyl-1-[(4-methyl-1-piperidyl)sulfonyl]piperazine (2S,6R)-2,6-dimethyl-1-[(4-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) 0.83 3.19 -48.94 2 5 1 57 276.426 2 ↓
Mid Mid (pH 6-8) 0.83 1.84 -6.71 1 5 0 53 275.418 2 ↓

Analogs

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Popular Name: (2S,6S)-2,6-dimethyl-1-[(4-methyl-1-piperidyl)sulfonyl]piperazine (2S,6S)-2,6-dimethyl-1-[(4-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) 0.83 3.11 -48.11 2 5 1 57 276.426 2 ↓
Mid Mid (pH 6-8) 0.83 1.79 -7.99 1 5 0 53 275.418 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-2,6-dimethyl-1-[(4-methyl-1-piperidyl)sulfonyl]piperazine (2R,6R)-2,6-dimethyl-1-[(4-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) 0.83 3.1 -48.13 2 5 1 57 276.426 2 ↓
Mid Mid (pH 6-8) 0.83 1.78 -8.06 1 5 0 53 275.418 2 ↓

Analogs

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Popular Name: (2S,6R)-2,6-dimethyl-1-[[(3R)-3-methyl-1-piperidyl]sulfonyl]piperazine (2S,6R)-2,6-dimethyl-1-[[(3R)-3-…

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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) 0.83 3.12 -48.97 2 5 1 57 276.426 2 ↓
Mid Mid (pH 6-8) 0.83 1.77 -6.18 1 5 0 53 275.418 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-2,6-dimethyl-1-[[(3S)-3-methyl-1-piperidyl]sulfonyl]piperazine (2S,6R)-2,6-dimethyl-1-[[(3S)-3-…

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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) 0.83 3.16 -48.89 2 5 1 57 276.426 2 ↓
Mid Mid (pH 6-8) 0.83 1.82 -6.73 1 5 0 53 275.418 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-2,6-dimethyl-1-(1-piperidylsulfonyl)piperazine (2S,6R)-2,6-dimethyl-1-(1-piperi…

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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) 0.59 2.54 -48.82 2 5 1 57 262.399 2 ↓
Mid Mid (pH 6-8) 0.59 1.18 -6.28 1 5 0 53 261.391 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-2,6-dimethyl-1-(1-piperidylsulfonyl)piperazine (2S,6S)-2,6-dimethyl-1-(1-piperi…

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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) 0.59 2.41 -47.85 2 5 1 57 262.399 2 ↓
Mid Mid (pH 6-8) 0.59 1.08 -7.44 1 5 0 53 261.391 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-2,6-dimethyl-1-(1-piperidylsulfonyl)piperazine (2R,6R)-2,6-dimethyl-1-(1-piperi…

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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) 0.59 2.38 -47.97 2 5 1 57 262.399 2 ↓
Mid Mid (pH 6-8) 0.59 1.04 -7.54 1 5 0 53 261.391 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-2,6-dimethyl-1-[[(2R)-2-methyl-1-piperidyl]sulfonyl]piperazine (2S,6R)-2,6-dimethyl-1-[[(2R)-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.92 3.15 -49.45 2 5 1 57 276.426 2 ↓
Mid Mid (pH 6-8) 0.92 1.87 -7.19 1 5 0 53 275.418 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-2,6-dimethyl-1-[[(2S)-2-methyl-1-piperidyl]sulfonyl]piperazine (2S,6R)-2,6-dimethyl-1-[[(2S)-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.92 3.1 -49.43 2 5 1 57 276.426 2 ↓
Mid Mid (pH 6-8) 0.92 1.82 -7.14 1 5 0 53 275.418 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) 0.31 3.14 -50.3 2 7 1 84 320.435 4 ↓
Mid Mid (pH 6-8) 0.31 1.8 -9.54 1 7 0 79 319.427 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) 0.31 3.02 -49.14 2 7 1 84 320.435 4 ↓
Mid Mid (pH 6-8) 0.31 1.69 -10.07 1 7 0 79 319.427 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) 0.31 3 -49.25 2 7 1 84 320.435 4 ↓
Mid Mid (pH 6-8) 0.31 1.65 -10.25 1 7 0 79 319.427 4 ↓

Analogs

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

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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) 1.30 3.71 -49.07 2 5 1 57 290.453 2 ↓
Mid Mid (pH 6-8) 1.30 2.36 -5.99 1 5 0 53 289.445 2 ↓

Analogs

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

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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) 1.30 3.69 -49.13 2 5 1 57 290.453 2 ↓
Mid Mid (pH 6-8) 1.30 2.35 -6.03 1 5 0 53 289.445 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.30 3.81 -49.31 2 5 1 57 290.453 2 ↓
Mid Mid (pH 6-8) 1.30 2.48 -6.04 1 5 0 53 289.445 2 ↓

Analogs

40860828
40860828

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Popular Name: 1-[(4-ethyl-4-methyl-1-piperidyl)sulfonyl]piperazine 1-[(4-ethyl-4-methyl-1-piperidyl…

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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) 0.91 2.63 -52.92 2 5 1 57 276.426 3 ↓
Mid Mid (pH 6-8) 0.91 1.35 -7.73 1 5 0 53 275.418 3 ↓

Analogs

40860828
40860828

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Popular Name: 1-[(4,4-diethyl-1-piperidyl)sulfonyl]piperazine 1-[(4,4-diethyl-1-piperidyl)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) 1.25 3.1 -52.7 2 5 1 57 290.453 4 ↓
Mid Mid (pH 6-8) 1.25 1.83 -7.56 1 5 0 53 289.445 4 ↓

Analogs

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Popular Name: ethyl ethyl

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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 4.3 -47.51 1 8 1 75 349.477 5 ↓
Hi High (pH 8-9.5) 0.48 1.87 -10.55 0 8 0 73 348.469 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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 4.32 -45.81 1 8 1 75 349.477 5 ↓
Hi High (pH 8-9.5) 0.48 1.71 -11.28 0 8 0 73 348.469 5 ↓

Analogs

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Popular Name: 1-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-4-propyl-piperazine 1-[[(3S)-3-methyl-1-piperidyl]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) 1.64 5.51 -42.94 1 5 1 45 290.453 4 ↓
Mid Mid (pH 6-8) 1.64 3.31 -6.95 0 5 0 44 289.445 4 ↓

Analogs

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Popular Name: 1-[[(3R)-3-methyl-1-piperidyl]sulfonyl]-4-propyl-piperazine 1-[[(3R)-3-methyl-1-piperidyl]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) 1.64 5.53 -46.7 1 5 1 45 290.453 4 ↓
Mid Mid (pH 6-8) 1.64 3.31 -7.34 0 5 0 44 289.445 4 ↓

Analogs

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Popular Name: 1-[4-[[(2R)-2-methyl-1-piperidyl]sulfonyl]piperazin-1-yl]ethanone 1-[4-[[(2R)-2-methyl-1-piperidyl…

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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) 0.21 2.99 -13.69 0 6 0 61 289.401 2 ↓

Analogs

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Popular Name: 1-[4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]piperazin-1-yl]ethanone 1-[4-[[(2S)-2-methyl-1-piperidyl…

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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) 0.21 3.03 -14.02 0 6 0 61 289.401 2 ↓

Analogs

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Popular Name: 1-ethyl-4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]piperazine 1-ethyl-4-[[(2S)-2-methyl-1-pipe…

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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) 1.23 2.53 -7.34 0 5 0 44 275.418 3 ↓
Mid Mid (pH 6-8) 1.23 4.75 -42.17 1 5 1 45 276.426 3 ↓

Analogs

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Popular Name: 1-ethyl-4-[[(2R)-2-methyl-1-piperidyl]sulfonyl]piperazine 1-ethyl-4-[[(2R)-2-methyl-1-pipe…

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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) 1.23 2.47 -7.08 0 5 0 44 275.418 3 ↓
Mid Mid (pH 6-8) 1.23 4.69 -45.72 1 5 1 45 276.426 3 ↓

Analogs

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Popular Name: 1-methyl-4-[[(2R)-2-methyl-1-piperidyl]sulfonyl]piperazine 1-methyl-4-[[(2R)-2-methyl-1-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) 0.85 1.63 -7.33 0 5 0 44 261.391 2 ↓
Mid Mid (pH 6-8) 0.85 3.99 -47 1 5 1 45 262.399 2 ↓

Analogs

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Popular Name: 1-methyl-4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]piperazine 1-methyl-4-[[(2S)-2-methyl-1-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) 0.85 1.65 -7.36 0 5 0 44 261.391 2 ↓
Mid Mid (pH 6-8) 0.85 4 -47 1 5 1 45 262.399 2 ↓

Analogs

37420204
37420204
20255177
20255177
20255179
20255179
20257743
20257743
20255170
20255170

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Popular Name: (2R)-1-(4-prop-2-ynylpiperazin-1-yl)sulfonylpiperidine-2-carboxylic (2R)-1-(4-prop-2-ynylpiperazin-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) -1.54 3.62 -50.62 0 7 -1 84 314.387 4 ↓
Lo Low (pH 4.5-6) -1.54 5.87 -58.23 1 7 0 85 315.395 4 ↓

Analogs

37420204
37420204
20255177
20255177
20255179
20255179
20257743
20257743
20255170
20255170

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Popular Name: (2S)-1-(4-prop-2-ynylpiperazin-1-yl)sulfonylpiperidine-2-carboxylic (2S)-1-(4-prop-2-ynylpiperazin-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) -1.54 3.58 -52.16 0 7 -1 84 314.387 4 ↓
Lo Low (pH 4.5-6) -1.54 5.83 -61.49 1 7 0 85 315.395 4 ↓

Analogs

20247264
20247264
34955732
34955732
36721193
36721193

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Popular Name: 1-(4-prop-2-ynylpiperazin-1-yl)sulfonylpiperidine-4-carboxylic 1-(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) -0.21 3.03 -52.57 0 7 -1 84 314.387 4 ↓
Lo Low (pH 4.5-6) -0.21 5.29 -83.27 1 7 0 85 315.395 4 ↓

Analogs

21786802
21786802
21786798
21786798
35687055
35687055

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4-prop-2-ynylpiperazin-1-yl)sulfonylpiperidine-3-carboxylic (3S)-1-(4-prop-2-ynylpiperazin-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) -0.21 2.97 -48.37 0 7 -1 84 314.387 4 ↓
Lo Low (pH 4.5-6) -0.21 5.22 -69.37 1 7 0 85 315.395 4 ↓

Analogs

21786802
21786802
21786798
21786798
35687055
35687055

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4-prop-2-ynylpiperazin-1-yl)sulfonylpiperidine-3-carboxylic (3R)-1-(4-prop-2-ynylpiperazin-1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.21 2.99 -49.27 0 7 -1 84 314.387 4 ↓
Lo Low (pH 4.5-6) -0.21 5.25 -72.27 1 7 0 85 315.395 4 ↓

Parameters Provided:

ring.id = 117201
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 = 117201 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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