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Analogs

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Popular Name: (5R,6S)-5-amino-6-(2-furyl)piperidin-2-one (5R,6S)-5-amino-6-(2-furyl)piper…

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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 0.07 -55.62 4 4 1 70 181.215 1 ↓
Hi High (pH 8-9.5) -0.48 -0.24 -7.93 3 4 0 68 180.207 1 ↓

Analogs

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Popular Name: (5R,6R)-5-amino-6-(2-furyl)piperidin-2-one (5R,6R)-5-amino-6-(2-furyl)piper…

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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 -0.03 -55.85 4 4 1 70 181.215 1 ↓
Hi High (pH 8-9.5) -0.48 -0.33 -8.97 3 4 0 68 180.207 1 ↓

Analogs

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Popular Name: (5S,6S)-5-amino-6-(2-furyl)piperidin-2-one (5S,6S)-5-amino-6-(2-furyl)piper…

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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 -0.03 -55.82 4 4 1 70 181.215 1 ↓
Hi High (pH 8-9.5) -0.48 -0.33 -7.82 3 4 0 68 180.207 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6R)-5-amino-6-(2-furyl)piperidin-2-one (5S,6R)-5-amino-6-(2-furyl)piper…

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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 0.07 -55.63 4 4 1 70 181.215 1 ↓
Hi High (pH 8-9.5) -0.48 -0.21 -9.26 3 4 0 68 180.207 1 ↓

Analogs

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Popular Name: (2S,3R)-2-(2-furyl)-1-methyl-6-oxo-piperidine-3-carboxylic (2S,3R)-2-(2-furyl)-1-methyl-6-o…

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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) 0.52 5.09 -41.88 0 5 -1 74 222.22 2 ↓

Analogs

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Popular Name: (2R,3R)-2-(2-furyl)-1-methyl-6-oxo-piperidine-3-carboxylic (2R,3R)-2-(2-furyl)-1-methyl-6-o…

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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) 0.52 5.05 -43.8 0 5 -1 74 222.22 2 ↓

Analogs

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Popular Name: (2S,3S)-2-(2-furyl)-1-methyl-6-oxo-piperidine-3-carboxylic (2S,3S)-2-(2-furyl)-1-methyl-6-o…

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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) 0.52 4.84 -41.3 0 5 -1 74 222.22 2 ↓

Analogs

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Popular Name: (2R,3S)-2-(2-furyl)-1-methyl-6-oxo-piperidine-3-carboxylic (2R,3S)-2-(2-furyl)-1-methyl-6-o…

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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) 0.52 5.08 -42.2 0 5 -1 74 222.22 2 ↓

Analogs

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Popular Name: (5R,6S)-5-amino-1-tert-butyl-6-(5-nitro-2-furyl)piperidin-2-one (5R,6S)-5-amino-1-tert-butyl-6-(…

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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) 1.04 4.48 -73.76 3 7 1 107 282.32 3 ↓
Hi High (pH 8-9.5) 1.04 4.17 -13.63 2 7 0 105 281.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R)-5-amino-1-tert-butyl-6-(5-nitro-2-furyl)piperidin-2-one (5R,6R)-5-amino-1-tert-butyl-6-(…

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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) 1.04 3.94 -72.71 3 7 1 107 282.32 3 ↓
Hi High (pH 8-9.5) 1.04 3.63 -14.07 2 7 0 105 281.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6S)-5-amino-1-tert-butyl-6-(5-nitro-2-furyl)piperidin-2-one (5S,6S)-5-amino-1-tert-butyl-6-(…

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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) 1.04 3.93 -72.88 3 7 1 107 282.32 3 ↓
Hi High (pH 8-9.5) 1.04 3.62 -12.51 2 7 0 105 281.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6R)-5-amino-1-tert-butyl-6-(5-nitro-2-furyl)piperidin-2-one (5S,6R)-5-amino-1-tert-butyl-6-(…

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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) 1.04 4.47 -73.73 3 7 1 107 282.32 3 ↓
Hi High (pH 8-9.5) 1.04 4.2 -16.13 2 7 0 105 281.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S)-5-amino-1-tert-butyl-6-(5-methyl-2-furyl)piperidin-2-one (5R,6S)-5-amino-1-tert-butyl-6-(…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.18 4.6 -55.29 3 4 1 61 251.35 2 ↓
Hi High (pH 8-9.5) 1.18 4.29 -6.93 2 4 0 59 250.342 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R)-5-amino-1-tert-butyl-6-(5-methyl-2-furyl)piperidin-2-one (5R,6R)-5-amino-1-tert-butyl-6-(…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.18 4.09 -54.87 3 4 1 61 251.35 2 ↓
Hi High (pH 8-9.5) 1.18 3.79 -7.45 2 4 0 59 250.342 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6S)-5-amino-1-tert-butyl-6-(5-methyl-2-furyl)piperidin-2-one (5S,6S)-5-amino-1-tert-butyl-6-(…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.18 4.05 -54.73 3 4 1 61 251.35 2 ↓
Hi High (pH 8-9.5) 1.18 3.74 -6.2 2 4 0 59 250.342 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6R)-5-amino-1-tert-butyl-6-(5-methyl-2-furyl)piperidin-2-one (5S,6R)-5-amino-1-tert-butyl-6-(…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.18 4.61 -55.25 3 4 1 61 251.35 2 ↓
Hi High (pH 8-9.5) 1.18 4.35 -8.33 2 4 0 59 250.342 2 ↓

Analogs

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Popular Name: (5R,6S)-5-amino-6-(5-bromo-2-furyl)-1-tert-butyl-piperidin-2-one (5R,6S)-5-amino-6-(5-bromo-2-fur…

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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) 1.89 4.52 -59.6 3 4 1 61 316.219 2 ↓
Hi High (pH 8-9.5) 1.89 4.21 -7.23 2 4 0 59 315.211 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R)-5-amino-6-(5-bromo-2-furyl)-1-tert-butyl-piperidin-2-one (5R,6R)-5-amino-6-(5-bromo-2-fur…

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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) 1.89 4.03 -59.07 3 4 1 61 316.219 2 ↓
Hi High (pH 8-9.5) 1.89 3.73 -7.67 2 4 0 59 315.211 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6S)-5-amino-6-(5-bromo-2-furyl)-1-tert-butyl-piperidin-2-one (5S,6S)-5-amino-6-(5-bromo-2-fur…

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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) 1.89 4.03 -59.18 3 4 1 61 316.219 2 ↓
Hi High (pH 8-9.5) 1.89 3.73 -6.5 2 4 0 59 315.211 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6R)-5-amino-6-(5-bromo-2-furyl)-1-tert-butyl-piperidin-2-one (5S,6R)-5-amino-6-(5-bromo-2-fur…

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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) 1.89 4.51 -59.64 3 4 1 61 316.219 2 ↓
Hi High (pH 8-9.5) 1.89 4.24 -9 2 4 0 59 315.211 2 ↓

Analogs

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Popular Name: (5R,6S)-5-amino-1-isobutyl-6-(5-nitro-2-furyl)piperidin-2-one (5R,6S)-5-amino-1-isobutyl-6-(5-…

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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 4.96 -74.22 3 7 1 107 282.32 4 ↓
Hi High (pH 8-9.5) 0.97 4.64 -13.95 2 7 0 105 281.312 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R)-5-amino-1-isobutyl-6-(5-nitro-2-furyl)piperidin-2-one (5R,6R)-5-amino-1-isobutyl-6-(5-…

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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 4.78 -71.92 3 7 1 107 282.32 4 ↓
Hi High (pH 8-9.5) 0.97 4.47 -14.22 2 7 0 105 281.312 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6S)-5-amino-1-isobutyl-6-(5-nitro-2-furyl)piperidin-2-one (5S,6S)-5-amino-1-isobutyl-6-(5-…

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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 4.75 -73.91 3 7 1 107 282.32 4 ↓
Hi High (pH 8-9.5) 0.97 4.45 -13.36 2 7 0 105 281.312 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6R)-5-amino-1-isobutyl-6-(5-nitro-2-furyl)piperidin-2-one (5S,6R)-5-amino-1-isobutyl-6-(5-…

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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 5.06 -74.54 3 7 1 107 282.32 4 ↓
Hi High (pH 8-9.5) 0.97 4.84 -15.69 2 7 0 105 281.312 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S)-5-amino-1-isobutyl-6-(5-methyl-2-furyl)piperidin-2-one (5R,6S)-5-amino-1-isobutyl-6-(5-…

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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 5.01 -55.43 3 4 1 61 251.35 3 ↓
Hi High (pH 8-9.5) 1.11 4.7 -6.7 2 4 0 59 250.342 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R)-5-amino-1-isobutyl-6-(5-methyl-2-furyl)piperidin-2-one (5R,6R)-5-amino-1-isobutyl-6-(5-…

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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 4.84 -55.44 3 4 1 61 251.35 3 ↓
Hi High (pH 8-9.5) 1.11 4.52 -8.03 2 4 0 59 250.342 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6S)-5-amino-1-isobutyl-6-(5-methyl-2-furyl)piperidin-2-one (5S,6S)-5-amino-1-isobutyl-6-(5-…

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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 4.89 -56.03 3 4 1 61 251.35 3 ↓
Hi High (pH 8-9.5) 1.11 4.57 -7.5 2 4 0 59 250.342 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6R)-5-amino-1-isobutyl-6-(5-methyl-2-furyl)piperidin-2-one (5S,6R)-5-amino-1-isobutyl-6-(5-…

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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 5.14 -55.97 3 4 1 61 251.35 3 ↓
Hi High (pH 8-9.5) 1.11 4.9 -8.2 2 4 0 59 250.342 3 ↓

Analogs

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Popular Name: (5R,6S)-5-amino-6-(5-bromo-2-furyl)-1-isobutyl-piperidin-2-one (5R,6S)-5-amino-6-(5-bromo-2-fur…

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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 5 -60.62 3 4 1 61 316.219 3 ↓
Hi High (pH 8-9.5) 1.82 4.68 -7.87 2 4 0 59 315.211 3 ↓

Analogs

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Popular Name: (5R,6R)-5-amino-6-(5-bromo-2-furyl)-1-isobutyl-piperidin-2-one (5R,6R)-5-amino-6-(5-bromo-2-fur…

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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 4.82 -58.98 3 4 1 61 316.219 3 ↓
Hi High (pH 8-9.5) 1.82 4.51 -8.21 2 4 0 59 315.211 3 ↓

Analogs

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Popular Name: (5S,6S)-5-amino-6-(5-bromo-2-furyl)-1-isobutyl-piperidin-2-one (5S,6S)-5-amino-6-(5-bromo-2-fur…

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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 4.79 -60.54 3 4 1 61 316.219 3 ↓
Hi High (pH 8-9.5) 1.82 4.49 -7.61 2 4 0 59 315.211 3 ↓

Analogs

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Popular Name: (5S,6R)-5-amino-6-(5-bromo-2-furyl)-1-isobutyl-piperidin-2-one (5S,6R)-5-amino-6-(5-bromo-2-fur…

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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 5.09 -60.39 3 4 1 61 316.219 3 ↓
Hi High (pH 8-9.5) 1.82 4.89 -8.86 2 4 0 59 315.211 3 ↓

Analogs

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Popular Name: (5R,6S)-5-amino-1-(2-methoxyethyl)-6-(5-nitro-2-furyl)piperidin-2-one (5R,6S)-5-amino-1-(2-methoxyethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.16 2.92 -67.16 3 8 1 116 284.292 5 ↓
Hi High (pH 8-9.5) -0.16 2.6 -11.97 2 8 0 115 283.284 5 ↓

Analogs

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Popular Name: (5R,6R)-5-amino-1-(2-methoxyethyl)-6-(5-nitro-2-furyl)piperidin-2-one (5R,6R)-5-amino-1-(2-methoxyethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.16 2.68 -74.11 3 8 1 116 284.292 5 ↓
Hi High (pH 8-9.5) -0.16 2.39 -16.69 2 8 0 115 283.284 5 ↓

Analogs

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Popular Name: (5S,6S)-5-amino-1-(2-methoxyethyl)-6-(5-nitro-2-furyl)piperidin-2-one (5S,6S)-5-amino-1-(2-methoxyethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.16 2.55 -67.9 3 8 1 116 284.292 5 ↓
Hi High (pH 8-9.5) -0.16 2.24 -11.66 2 8 0 115 283.284 5 ↓

Analogs

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Popular Name: (5S,6R)-5-amino-1-(2-methoxyethyl)-6-(5-nitro-2-furyl)piperidin-2-one (5S,6R)-5-amino-1-(2-methoxyethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.16 3.55 -71.32 3 8 1 116 284.292 5 ↓
Hi High (pH 8-9.5) -0.16 2.76 -18.22 2 8 0 115 283.284 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S)-5-amino-1-(2-methoxyethyl)-6-(5-methyl-2-furyl)piperidin-2-one (5R,6S)-5-amino-1-(2-methoxyethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.03 3.72 -58.24 3 5 1 70 253.322 4 ↓
Hi High (pH 8-9.5) -0.03 3.42 -9.62 2 5 0 69 252.314 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R)-5-amino-1-(2-methoxyethyl)-6-(5-methyl-2-furyl)piperidin-2-one (5R,6R)-5-amino-1-(2-methoxyethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.03 3.56 -57.46 3 5 1 70 253.322 4 ↓
Hi High (pH 8-9.5) -0.03 3.24 -10.33 2 5 0 69 252.314 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6S)-5-amino-1-(2-methoxyethyl)-6-(5-methyl-2-furyl)piperidin-2-one (5S,6S)-5-amino-1-(2-methoxyethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.03 2.61 -52.24 3 5 1 70 253.322 4 ↓
Hi High (pH 8-9.5) -0.03 2.31 -7.43 2 5 0 69 252.314 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6R)-5-amino-1-(2-methoxyethyl)-6-(5-methyl-2-furyl)piperidin-2-one (5S,6R)-5-amino-1-(2-methoxyethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.03 3.69 -57.95 3 5 1 70 253.322 4 ↓
Hi High (pH 8-9.5) -0.03 3.6 -10.77 2 5 0 69 252.314 4 ↓

Analogs

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Popular Name: (5R,6S)-5-amino-6-(5-bromo-2-furyl)-1-(2-methoxyethyl)piperidin-2-one (5R,6S)-5-amino-6-(5-bromo-2-fur…

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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) 0.69 2.96 -54.81 3 5 1 70 318.191 4 ↓
Hi High (pH 8-9.5) 0.69 2.64 -6.93 2 5 0 69 317.183 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R)-5-amino-6-(5-bromo-2-furyl)-1-(2-methoxyethyl)piperidin-2-one (5R,6R)-5-amino-6-(5-bromo-2-fur…

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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) 0.69 2.72 -61.26 3 5 1 70 318.191 4 ↓
Hi High (pH 8-9.5) 0.69 2.43 -10.63 2 5 0 69 317.183 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6S)-5-amino-6-(5-bromo-2-furyl)-1-(2-methoxyethyl)piperidin-2-one (5S,6S)-5-amino-6-(5-bromo-2-fur…

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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) 0.69 2.59 -55.98 3 5 1 70 318.191 4 ↓
Hi High (pH 8-9.5) 0.69 2.28 -7.02 2 5 0 69 317.183 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6R)-5-amino-6-(5-bromo-2-furyl)-1-(2-methoxyethyl)piperidin-2-one (5S,6R)-5-amino-6-(5-bromo-2-fur…

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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) 0.69 3.77 -57.57 3 5 1 70 318.191 4 ↓
Hi High (pH 8-9.5) 0.69 2.82 -11.45 2 5 0 69 317.183 4 ↓

Parameters Provided:

ring.id = 186751
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 = 186751 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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