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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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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) -0.41 2.73 -14.26 0 8 0 87 347.437 6 ↓
Lo Low (pH 4.5-6) -0.41 4.87 -55.23 1 8 1 88 348.445 6 ↓

Analogs

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Popular Name: (2R)-1-[(2S)-piperazine-2-carbonyl]pyrrolidine-2-carboxamide (2R)-1-[(2S)-piperazine-2-carbon…

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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) -1.58 -2.06 -55.05 5 6 1 92 227.288 2 ↓
Mid Mid (pH 6-8) -1.58 -3.41 -16.42 4 6 0 87 226.28 2 ↓

Analogs

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Popular Name: (2S)-1-[(2S)-piperazine-2-carbonyl]pyrrolidine-2-carboxamide (2S)-1-[(2S)-piperazine-2-carbon…

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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) -1.58 -1.81 -52.19 5 6 1 92 227.288 2 ↓
Mid Mid (pH 6-8) -1.58 -3.15 -16.33 4 6 0 87 226.28 2 ↓

Analogs

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Popular Name: (2R)-1-[(2R)-piperazine-2-carbonyl]pyrrolidine-2-carboxamide (2R)-1-[(2R)-piperazine-2-carbon…

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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) -1.58 -2.09 -50.81 5 6 1 92 227.288 2 ↓
Mid Mid (pH 6-8) -1.58 -3.45 -16.01 4 6 0 87 226.28 2 ↓

Analogs

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Popular Name: (2S)-1-[(2R)-piperazine-2-carbonyl]pyrrolidine-2-carboxamide (2S)-1-[(2R)-piperazine-2-carbon…

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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) -1.58 -1.83 -56.35 5 6 1 92 227.288 2 ↓
Mid Mid (pH 6-8) -1.58 -3.19 -16.39 4 6 0 87 226.28 2 ↓

Analogs

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Popular Name: [(2R)-2-methylpyrrolidin-1-yl]-[(2S)-piperazin-2-yl]methanone [(2R)-2-methylpyrrolidin-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) -0.54 0.93 -47.71 3 4 1 49 198.29 1 ↓
Hi High (pH 8-9.5) -0.54 -0.4 -7.97 2 4 0 44 197.282 1 ↓

Analogs

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Popular Name: [(2S)-2-methylpyrrolidin-1-yl]-[(2S)-piperazin-2-yl]methanone [(2S)-2-methylpyrrolidin-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) -0.54 0.92 -47.49 3 4 1 49 198.29 1 ↓
Hi High (pH 8-9.5) -0.54 -0.42 -7.87 2 4 0 44 197.282 1 ↓

Analogs

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Popular Name: [(2R)-2-methylpyrrolidin-1-yl]-[(2R)-piperazin-2-yl]methanone [(2R)-2-methylpyrrolidin-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) -0.54 0.85 -48.06 3 4 1 49 198.29 1 ↓
Hi High (pH 8-9.5) -0.54 -0.51 -7.77 2 4 0 44 197.282 1 ↓

Analogs

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Popular Name: [(2S)-2-methylpyrrolidin-1-yl]-[(2R)-piperazin-2-yl]methanone [(2S)-2-methylpyrrolidin-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) -0.54 0.84 -48.02 3 4 1 49 198.29 1 ↓
Hi High (pH 8-9.5) -0.54 -0.52 -7.7 2 4 0 44 197.282 1 ↓

Analogs

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Popular Name: [(2R)-2-ethylpyrrolidin-1-yl]-[(2S)-piperazin-2-yl]methanone [(2R)-2-ethylpyrrolidin-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) 0.00 1.57 -47.66 3 4 1 49 212.317 2 ↓
Hi High (pH 8-9.5) 0.00 0.22 -8 2 4 0 44 211.309 2 ↓

Analogs

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Popular Name: [(2S)-2-ethylpyrrolidin-1-yl]-[(2S)-piperazin-2-yl]methanone [(2S)-2-ethylpyrrolidin-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) 0.00 1.57 -47.77 3 4 1 49 212.317 2 ↓
Hi High (pH 8-9.5) 0.00 0.22 -8.04 2 4 0 44 211.309 2 ↓

Analogs

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Popular Name: [(2R)-2-ethylpyrrolidin-1-yl]-[(2R)-piperazin-2-yl]methanone [(2R)-2-ethylpyrrolidin-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) 0.00 1.54 -47.94 3 4 1 49 212.317 2 ↓
Hi High (pH 8-9.5) 0.00 0.18 -7.77 2 4 0 44 211.309 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-ethylpyrrolidin-1-yl]-[(2R)-piperazin-2-yl]methanone [(2S)-2-ethylpyrrolidin-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) 0.00 1.6 -48.02 3 4 1 49 212.317 2 ↓
Hi High (pH 8-9.5) 0.00 0.24 -7.98 2 4 0 44 211.309 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-methylpyrrolidin-1-yl]-[(2S)-piperazin-2-yl]methanone [(3R)-3-methylpyrrolidin-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) -0.39 0.79 -47.77 3 4 1 49 198.29 1 ↓
Hi High (pH 8-9.5) -0.39 -0.54 -7.77 2 4 0 44 197.282 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-methylpyrrolidin-1-yl]-[(2S)-piperazin-2-yl]methanone [(3S)-3-methylpyrrolidin-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) -0.39 0.81 -48.26 3 4 1 49 198.29 1 ↓
Hi High (pH 8-9.5) -0.39 -0.52 -8.02 2 4 0 44 197.282 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-methylpyrrolidin-1-yl]-[(2R)-piperazin-2-yl]methanone [(3R)-3-methylpyrrolidin-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) -0.39 0.74 -48.09 3 4 1 49 198.29 1 ↓
Hi High (pH 8-9.5) -0.39 -0.62 -7.55 2 4 0 44 197.282 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-methylpyrrolidin-1-yl]-[(2R)-piperazin-2-yl]methanone [(3S)-3-methylpyrrolidin-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) -0.39 0.74 -48.6 3 4 1 49 198.29 1 ↓
Hi High (pH 8-9.5) -0.39 -0.62 -7.8 2 4 0 44 197.282 1 ↓

Analogs

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Popular Name: [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-[(2S)-piperazin-2-yl]methanone [(2R)-2-(hydroxymethyl)pyrrolidi…

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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) -1.51 -2.3 -47.51 4 5 1 69 214.289 2 ↓
Hi High (pH 8-9.5) -1.51 -3.64 -8.21 3 5 0 65 213.281 2 ↓

Analogs

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Popular Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[(2S)-piperazin-2-yl]methanone [(2S)-2-(hydroxymethyl)pyrrolidi…

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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) -1.51 -2.28 -46.16 4 5 1 69 214.289 2 ↓
Hi High (pH 8-9.5) -1.51 -3.61 -8.18 3 5 0 65 213.281 2 ↓

Analogs

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Popular Name: [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperazin-2-yl]methanone [(2R)-2-(hydroxymethyl)pyrrolidi…

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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) -1.51 -2.33 -46.39 4 5 1 69 214.289 2 ↓
Hi High (pH 8-9.5) -1.51 -3.69 -7.95 3 5 0 65 213.281 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperazin-2-yl]methanone [(2S)-2-(hydroxymethyl)pyrrolidi…

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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) -1.51 -2.35 -48.04 4 5 1 69 214.289 2 ↓
Hi High (pH 8-9.5) -1.51 -3.71 -8.09 3 5 0 65 213.281 2 ↓

Analogs

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Popular Name: (2S)-N-methyl-1-[(2S)-piperazine-2-carbonyl]pyrrolidine-2-carboxamide (2S)-N-methyl-1-[(2S)-piperazine…

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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) -1.77 -0.59 -51.36 4 6 1 78 241.315 2 ↓
Mid Mid (pH 6-8) -1.77 -1.92 -17.01 3 6 0 73 240.307 2 ↓

Analogs

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Popular Name: (2R)-N-methyl-1-[(2S)-piperazine-2-carbonyl]pyrrolidine-2-carboxamide (2R)-N-methyl-1-[(2S)-piperazine…

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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) -1.77 -0.3 -55.28 4 6 1 78 241.315 2 ↓
Mid Mid (pH 6-8) -1.77 -1.63 -16.83 3 6 0 73 240.307 2 ↓

Analogs

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Popular Name: (2S)-N-methyl-1-[(2R)-piperazine-2-carbonyl]pyrrolidine-2-carboxamide (2S)-N-methyl-1-[(2R)-piperazine…

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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) -1.77 -0.67 -56.31 4 6 1 78 241.315 2 ↓
Mid Mid (pH 6-8) -1.77 -2.02 -17.09 3 6 0 73 240.307 2 ↓

Analogs

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Popular Name: (2R)-N-methyl-1-[(2R)-piperazine-2-carbonyl]pyrrolidine-2-carboxamide (2R)-N-methyl-1-[(2R)-piperazine…

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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) -1.77 -0.39 -51.15 4 6 1 78 241.315 2 ↓
Mid Mid (pH 6-8) -1.77 -1.74 -16.35 3 6 0 73 240.307 2 ↓

Analogs

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Popular Name: [(2R)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-[(2S)-piperazin-2-yl]methanone [(2R)-2-(3-hydroxypropyl)pyrroli…

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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 -1.02 -50.02 4 5 1 69 242.343 4 ↓
Hi High (pH 8-9.5) -0.97 -2.37 -9.72 3 5 0 65 241.335 4 ↓

Analogs

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Popular Name: [(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-[(2S)-piperazin-2-yl]methanone [(2S)-2-(3-hydroxypropyl)pyrroli…

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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 -1 -50.21 4 5 1 69 242.343 4 ↓
Hi High (pH 8-9.5) -0.97 -2.36 -9.43 3 5 0 65 241.335 4 ↓

Analogs

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Popular Name: [(2R)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-[(2R)-piperazin-2-yl]methanone [(2R)-2-(3-hydroxypropyl)pyrroli…

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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 -1 -51 4 5 1 69 242.343 4 ↓
Hi High (pH 8-9.5) -0.97 -2.35 -9.64 3 5 0 65 241.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-[(2R)-piperazin-2-yl]methanone [(2S)-2-(3-hydroxypropyl)pyrroli…

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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 -1.02 -49.76 4 5 1 69 242.343 4 ↓
Hi High (pH 8-9.5) -0.97 -2.38 -9.15 3 5 0 65 241.335 4 ↓

Analogs

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Popular Name: [(2S)-2-(dimethylaminomethyl)pyrrolidin-1-yl]-[(2S)-piperazin-2-yl]methanone [(2S)-2-(dimethylaminomethyl)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) -0.85 2.22 -91.69 4 5 2 53 242.367 3 ↓
Mid Mid (pH 6-8) -0.85 0.6 -36.67 3 5 1 49 241.359 3 ↓

Analogs

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Popular Name: [(2R)-2-(dimethylaminomethyl)pyrrolidin-1-yl]-[(2S)-piperazin-2-yl]methanone [(2R)-2-(dimethylaminomethyl)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) -0.85 1.9 -87.97 4 5 2 53 242.367 3 ↓
Mid Mid (pH 6-8) -0.85 0.82 -35.94 3 5 1 49 241.359 3 ↓

Analogs

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Popular Name: [(2S)-2-(dimethylaminomethyl)pyrrolidin-1-yl]-[(2R)-piperazin-2-yl]methanone [(2S)-2-(dimethylaminomethyl)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) -0.85 2.11 -88.24 4 5 2 53 242.367 3 ↓
Mid Mid (pH 6-8) -0.85 0.46 -35.68 3 5 1 49 241.359 3 ↓

Analogs

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Popular Name: [(2R)-2-(dimethylaminomethyl)pyrrolidin-1-yl]-[(2R)-piperazin-2-yl]methanone [(2R)-2-(dimethylaminomethyl)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) -0.85 1.86 -90.67 4 5 2 53 242.367 3 ↓
Mid Mid (pH 6-8) -0.85 0.75 -35.72 3 5 1 49 241.359 3 ↓

Analogs

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Popular Name: [(3R)-3-hydroxypyrrolidin-1-yl]-[(2S)-piperazin-2-yl]methanone [(3R)-3-hydroxypyrrolidin-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) -1.78 -3.21 -51.17 4 5 1 69 200.262 1 ↓
Hi High (pH 8-9.5) -1.78 -4.55 -10.1 3 5 0 65 199.254 1 ↓

Analogs

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Popular Name: [(3S)-3-hydroxypyrrolidin-1-yl]-[(2S)-piperazin-2-yl]methanone [(3S)-3-hydroxypyrrolidin-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) -1.78 -3.16 -52.47 4 5 1 69 200.262 1 ↓
Hi High (pH 8-9.5) -1.78 -4.49 -10.91 3 5 0 65 199.254 1 ↓

Analogs

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Popular Name: [(3R)-3-hydroxypyrrolidin-1-yl]-[(2R)-piperazin-2-yl]methanone [(3R)-3-hydroxypyrrolidin-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) -1.78 -3.26 -52.26 4 5 1 69 200.262 1 ↓
Hi High (pH 8-9.5) -1.78 -4.62 -10.18 3 5 0 65 199.254 1 ↓

Analogs

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Popular Name: [(3S)-3-hydroxypyrrolidin-1-yl]-[(2R)-piperazin-2-yl]methanone [(3S)-3-hydroxypyrrolidin-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) -1.78 -3.23 -51.98 4 5 1 69 200.262 1 ↓
Hi High (pH 8-9.5) -1.78 -4.59 -10.75 3 5 0 65 199.254 1 ↓

Analogs

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Popular Name: [(2S,5R)-5-methylpiperazin-2-yl]-pyrrolidin-1-yl-methanone [(2S,5R)-5-methylpiperazin-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) -0.18 0.62 -37.8 3 4 1 49 198.29 1 ↓
Hi High (pH 8-9.5) -0.18 -0.54 -7.68 2 4 0 44 197.282 1 ↓

Analogs

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Popular Name: [(2S,5S)-5-methylpiperazin-2-yl]-pyrrolidin-1-yl-methanone [(2S,5S)-5-methylpiperazin-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) -0.18 0.79 -45.31 3 4 1 49 198.29 1 ↓
Hi High (pH 8-9.5) -0.18 -0.47 -7.55 2 4 0 44 197.282 1 ↓

Analogs

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Popular Name: [(2R,5R)-5-methylpiperazin-2-yl]-pyrrolidin-1-yl-methanone [(2R,5R)-5-methylpiperazin-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) -0.18 0.85 -44.94 3 4 1 49 198.29 1 ↓
Hi High (pH 8-9.5) -0.18 -0.41 -7.75 2 4 0 44 197.282 1 ↓

Analogs

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Popular Name: [(2R,5S)-5-methylpiperazin-2-yl]-pyrrolidin-1-yl-methanone [(2R,5S)-5-methylpiperazin-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) -0.18 0.63 -40.22 3 4 1 49 198.29 1 ↓
Hi High (pH 8-9.5) -0.18 -0.65 -7.28 2 4 0 44 197.282 1 ↓

Analogs

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Popular Name: (2R)-1-[(2S,5R)-5-methylpiperazine-2-carbonyl]pyrrolidine-2-carboxamide (2R)-1-[(2S,5R)-5-methylpiperazi…

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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 -1.73 -45.74 5 6 1 92 241.315 2 ↓
Mid Mid (pH 6-8) -0.91 -2.88 -15.23 4 6 0 87 240.307 2 ↓

Analogs

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Popular Name: (2R)-1-[(2S,5S)-5-methylpiperazine-2-carbonyl]pyrrolidine-2-carboxamide (2R)-1-[(2S,5S)-5-methylpiperazi…

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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 -1.48 -53.45 5 6 1 92 241.315 2 ↓
Mid Mid (pH 6-8) -0.91 -2.74 -16.46 4 6 0 87 240.307 2 ↓

Analogs

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Popular Name: (2R)-1-[(2R,5R)-5-methylpiperazine-2-carbonyl]pyrrolidine-2-carboxamide (2R)-1-[(2R,5R)-5-methylpiperazi…

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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 -1.41 -48.38 5 6 1 92 241.315 2 ↓
Mid Mid (pH 6-8) -0.91 -2.66 -16.46 4 6 0 87 240.307 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(2R,5S)-5-methylpiperazine-2-carbonyl]pyrrolidine-2-carboxamide (2R)-1-[(2R,5S)-5-methylpiperazi…

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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 -1.71 -39.81 5 6 1 92 241.315 2 ↓
Mid Mid (pH 6-8) -0.91 -3 -14.68 4 6 0 87 240.307 2 ↓

Analogs

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Popular Name: [(2S,5R)-5-methylpiperazin-2-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone [(2S,5R)-5-methylpiperazin-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) 0.14 1.3 -41.35 3 4 1 49 212.317 1 ↓
Hi High (pH 8-9.5) 0.14 0.03 -7.49 2 4 0 44 211.309 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5R)-5-methylpiperazin-2-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone [(2S,5R)-5-methylpiperazin-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) 0.14 1.3 -41.18 3 4 1 49 212.317 1 ↓
Hi High (pH 8-9.5) 0.14 0.02 -7.42 2 4 0 44 211.309 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5R)-5-methylpiperazin-2-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone [(2R,5R)-5-methylpiperazin-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) 0.14 1.51 -45.47 3 4 1 49 212.317 1 ↓
Hi High (pH 8-9.5) 0.14 0.25 -7.51 2 4 0 44 211.309 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5R)-5-methylpiperazin-2-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone [(2R,5R)-5-methylpiperazin-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) 0.14 1.5 -45.52 3 4 1 49 212.317 1 ↓
Hi High (pH 8-9.5) 0.14 0.23 -7.45 2 4 0 44 211.309 1 ↓

Analogs

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Popular Name: [(2R)-2-ethylpyrrolidin-1-yl]-[(2S,5R)-5-methylpiperazin-2-yl]methanone [(2R)-2-ethylpyrrolidin-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) 0.68 1.94 -41.52 3 4 1 49 226.344 2 ↓
Hi High (pH 8-9.5) 0.68 0.65 -7.45 2 4 0 44 225.336 2 ↓

Parameters Provided:

ring.id = 19012
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 = 19012 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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