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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: 1-(2-FURYLMETHYL)-5-OXOPYRROLIDINE-3-CARBOXYLIC ACID 1-(2-FURYLMETHYL)-5-OXOPYRROLIDI…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.25 5.15 -42.31 0 5 -1 74 208.193 2 ↓
Lo Low (pH 4.5-6) 0.25 2.64 -13.4 1 5 0 71 209.201 2 ↓

Analogs

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Popular Name: 1-(2-FURYLMETHYL)-5-OXOPYRROLIDINE-3-CARBOXYLIC ACID 1-(2-FURYLMETHYL)-5-OXOPYRROLIDI…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.25 4.5 -42.92 0 5 -1 74 208.193 2 ↓
Lo Low (pH 4.5-6) 0.25 2.49 -9.9 1 5 0 71 209.201 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-FURYLMETHYL)-5-OXOPYRROLIDINE-3-CARBOXYLIC ACID 1-(2-FURYLMETHYL)-5-OXOPYRROLIDI…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.25 4.64 -44.83 0 5 -1 74 208.193 2 ↓
Lo Low (pH 4.5-6) 0.25 2.69 -11.4 1 5 0 71 209.201 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-FURYLMETHYL)-5-OXOPYRROLIDINE-3-CARBOXYLIC ACID 1-(2-FURYLMETHYL)-5-OXOPYRROLIDI…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.25 4.86 -50.39 0 5 -1 74 208.193 2 ↓
Lo Low (pH 4.5-6) 0.25 2.5 -16.1 1 5 0 71 209.201 2 ↓

Analogs

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Popular Name: (2S,3R)-1-methyl-2-(5-methyl-2-furyl)-5-oxo-pyrrolidine-3-carboxylic (2S,3R)-1-methyl-2-(5-methyl-2-f…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.47 5.94 -43.69 0 5 -1 74 222.22 2 ↓
Lo Low (pH 4.5-6) 0.47 3.47 -14.04 1 5 0 71 223.228 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-1-methyl-2-(5-methyl-2-furyl)-5-oxo-pyrrolidine-3-carboxylic (2R,3R)-1-methyl-2-(5-methyl-2-f…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.47 5.29 -43.21 0 5 -1 74 222.22 2 ↓
Lo Low (pH 4.5-6) 0.47 3.29 -9.84 1 5 0 71 223.228 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-1-methyl-2-(5-methyl-2-furyl)-5-oxo-pyrrolidine-3-carboxylic (2S,3S)-1-methyl-2-(5-methyl-2-f…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.47 5.46 -44.99 0 5 -1 74 222.22 2 ↓
Lo Low (pH 4.5-6) 0.47 3.52 -11.57 1 5 0 71 223.228 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-1-methyl-2-(5-methyl-2-furyl)-5-oxo-pyrrolidine-3-carboxylic (2R,3S)-1-methyl-2-(5-methyl-2-f…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.47 5.72 -51.64 0 5 -1 74 222.22 2 ↓
Lo Low (pH 4.5-6) 0.47 3.32 -16.2 1 5 0 71 223.228 2 ↓

Analogs

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Popular Name: (2S,3R)-2-(5-bromo-2-furyl)-1-methyl-5-oxo-pyrrolidine-3-carboxylic (2S,3R)-2-(5-bromo-2-furyl)-1-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.18 5.87 -41.26 0 5 -1 74 287.089 2 ↓
Lo Low (pH 4.5-6) 1.18 3.38 -14.73 1 5 0 71 288.097 2 ↓

Analogs

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Popular Name: (2R,3R)-2-(5-bromo-2-furyl)-1-methyl-5-oxo-pyrrolidine-3-carboxylic (2R,3R)-2-(5-bromo-2-furyl)-1-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.18 5.22 -39.72 0 5 -1 74 287.089 2 ↓
Lo Low (pH 4.5-6) 1.18 3.21 -9.25 1 5 0 71 288.097 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-2-(5-bromo-2-furyl)-1-methyl-5-oxo-pyrrolidine-3-carboxylic (2S,3S)-2-(5-bromo-2-furyl)-1-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.18 5.37 -42.47 0 5 -1 74 287.089 2 ↓
Lo Low (pH 4.5-6) 1.18 3.42 -11.37 1 5 0 71 288.097 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-2-(5-bromo-2-furyl)-1-methyl-5-oxo-pyrrolidine-3-carboxylic (2R,3S)-2-(5-bromo-2-furyl)-1-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.18 5.59 -50.59 0 5 -1 74 287.089 2 ↓
Lo Low (pH 4.5-6) 1.18 3.22 -17.42 1 5 0 71 288.097 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-ethyl-2-(2-furyl)-5-oxo-pyrrolidine-3-carboxylic (2S,3R)-1-ethyl-2-(2-furyl)-5-ox…

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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 6.13 -42.32 0 5 -1 74 222.22 3 ↓
Lo Low (pH 4.5-6) 0.63 3.62 -13.12 1 5 0 71 223.228 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-1-ethyl-2-(2-furyl)-5-oxo-pyrrolidine-3-carboxylic (2R,3R)-1-ethyl-2-(2-furyl)-5-ox…

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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 5.45 -43.34 0 5 -1 74 222.22 3 ↓
Lo Low (pH 4.5-6) 0.63 3.45 -9.71 1 5 0 71 223.228 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-1-ethyl-2-(2-furyl)-5-oxo-pyrrolidine-3-carboxylic (2S,3S)-1-ethyl-2-(2-furyl)-5-ox…

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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 5.62 -45.59 0 5 -1 74 222.22 3 ↓
Lo Low (pH 4.5-6) 0.63 3.68 -11.21 1 5 0 71 223.228 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-1-ethyl-2-(2-furyl)-5-oxo-pyrrolidine-3-carboxylic (2R,3S)-1-ethyl-2-(2-furyl)-5-ox…

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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 5.41 -43.29 0 5 -1 74 222.22 3 ↓
Lo Low (pH 4.5-6) 0.63 3.56 -13.47 1 5 0 71 223.228 3 ↓

Analogs

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Popular Name: (4R,5S)-4-amino-1-methyl-5-(5-nitro-2-furyl)pyrrolidin-2-one (4R,5S)-4-amino-1-methyl-5-(5-ni…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.42 2.31 -70.28 3 7 1 107 226.212 2 ↓
Hi High (pH 8-9.5) -0.42 2.01 -15.43 2 7 0 105 225.204 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-methyl-5-(5-nitro-2-furyl)pyrrolidin-2-one (4R,5R)-4-amino-1-methyl-5-(5-ni…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.42 1.88 -75.79 3 7 1 107 226.212 2 ↓
Hi High (pH 8-9.5) -0.42 1.6 -14.72 2 7 0 105 225.204 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-methyl-5-(5-nitro-2-furyl)pyrrolidin-2-one (4S,5S)-4-amino-1-methyl-5-(5-ni…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.42 2.12 -73.36 3 7 1 107 226.212 2 ↓
Hi High (pH 8-9.5) -0.42 1.84 -17.11 2 7 0 105 225.204 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-methyl-5-(5-nitro-2-furyl)pyrrolidin-2-one (4S,5R)-4-amino-1-methyl-5-(5-ni…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.42 2.14 -61.79 3 7 1 107 226.212 2 ↓
Hi High (pH 8-9.5) -0.42 2.05 -18.51 2 7 0 105 225.204 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-methyl-5-(5-methyl-2-furyl)pyrrolidin-2-one (4R,5S)-4-amino-1-methyl-5-(5-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.28 2.42 -54.48 3 4 1 61 195.242 1 ↓
Hi High (pH 8-9.5) -0.28 2.13 -9 2 4 0 59 194.234 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-methyl-5-(5-methyl-2-furyl)pyrrolidin-2-one (4R,5R)-4-amino-1-methyl-5-(5-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.28 1.99 -59.18 3 4 1 61 195.242 1 ↓
Hi High (pH 8-9.5) -0.28 1.71 -8.92 2 4 0 59 194.234 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-methyl-5-(5-methyl-2-furyl)pyrrolidin-2-one (4S,5S)-4-amino-1-methyl-5-(5-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.28 2.24 -57.99 3 4 1 61 195.242 1 ↓
Hi High (pH 8-9.5) -0.28 1.96 -10.21 2 4 0 59 194.234 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-methyl-5-(5-methyl-2-furyl)pyrrolidin-2-one (4S,5R)-4-amino-1-methyl-5-(5-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.28 2.26 -49.06 3 4 1 61 195.242 1 ↓
Hi High (pH 8-9.5) -0.28 2.17 -10.16 2 4 0 59 194.234 1 ↓

Analogs

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Popular Name: (4R,5S)-4-amino-1-ethyl-5-(5-methyl-2-furyl)pyrrolidin-2-one (4R,5S)-4-amino-1-ethyl-5-(5-met…

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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 3.41 -54.02 3 4 1 61 209.269 2 ↓
Hi High (pH 8-9.5) 0.10 3.11 -8.63 2 4 0 59 208.261 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-ethyl-5-(5-methyl-2-furyl)pyrrolidin-2-one (4R,5R)-4-amino-1-ethyl-5-(5-met…

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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 2.97 -58.45 3 4 1 61 209.269 2 ↓
Hi High (pH 8-9.5) 0.10 2.68 -8.79 2 4 0 59 208.261 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-ethyl-5-(5-methyl-2-furyl)pyrrolidin-2-one (4S,5S)-4-amino-1-ethyl-5-(5-met…

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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 3.22 -57.58 3 4 1 61 209.269 2 ↓
Hi High (pH 8-9.5) 0.10 2.94 -10 2 4 0 59 208.261 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-ethyl-5-(5-methyl-2-furyl)pyrrolidin-2-one (4S,5R)-4-amino-1-ethyl-5-(5-met…

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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 3.33 -54.22 3 4 1 61 209.269 2 ↓
Hi High (pH 8-9.5) 0.10 2.93 -10.03 2 4 0 59 208.261 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-5-(5-methyl-2-furyl)-1-propyl-pyrrolidin-2-one (4R,5S)-4-amino-5-(5-methyl-2-fu…

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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) 0.60 4.16 -54.21 3 4 1 61 223.296 3 ↓
Hi High (pH 8-9.5) 0.60 3.87 -8.47 2 4 0 59 222.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-5-(5-methyl-2-furyl)-1-propyl-pyrrolidin-2-one (4R,5R)-4-amino-5-(5-methyl-2-fu…

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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) 0.60 3.72 -58.65 3 4 1 61 223.296 3 ↓
Hi High (pH 8-9.5) 0.60 3.45 -8.71 2 4 0 59 222.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-5-(5-methyl-2-furyl)-1-propyl-pyrrolidin-2-one (4S,5S)-4-amino-5-(5-methyl-2-fu…

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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) 0.60 3.98 -58.02 3 4 1 61 223.296 3 ↓
Hi High (pH 8-9.5) 0.60 3.69 -9.86 2 4 0 59 222.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-5-(5-methyl-2-furyl)-1-propyl-pyrrolidin-2-one (4S,5R)-4-amino-5-(5-methyl-2-fu…

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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) 0.60 4.09 -54.29 3 4 1 61 223.296 3 ↓
Hi High (pH 8-9.5) 0.60 3.69 -9.97 2 4 0 59 222.288 3 ↓

Analogs

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Popular Name: (4R,5S)-4-amino-1-isopropyl-5-(5-methyl-2-furyl)pyrrolidin-2-one (4R,5S)-4-amino-1-isopropyl-5-(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) 0.39 3.96 -53.61 3 4 1 61 223.296 2 ↓
Hi High (pH 8-9.5) 0.39 3.67 -8.13 2 4 0 59 222.288 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-isopropyl-5-(5-methyl-2-furyl)pyrrolidin-2-one (4R,5R)-4-amino-1-isopropyl-5-(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) 0.39 3.52 -58.14 3 4 1 61 223.296 2 ↓
Hi High (pH 8-9.5) 0.39 3.23 -8.1 2 4 0 59 222.288 2 ↓

Analogs

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Popular Name: (4S,5S)-4-amino-1-isopropyl-5-(5-methyl-2-furyl)pyrrolidin-2-one (4S,5S)-4-amino-1-isopropyl-5-(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) 0.39 3.79 -57.59 3 4 1 61 223.296 2 ↓
Hi High (pH 8-9.5) 0.39 3.5 -9.4 2 4 0 59 222.288 2 ↓

Analogs

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Popular Name: (4S,5R)-4-amino-1-isopropyl-5-(5-methyl-2-furyl)pyrrolidin-2-one (4S,5R)-4-amino-1-isopropyl-5-(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) 0.39 3.96 -53.56 3 4 1 61 223.296 2 ↓
Hi High (pH 8-9.5) 0.39 3.48 -9.2 2 4 0 59 222.288 2 ↓

Analogs

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Popular Name: (4R,5S)-4-amino-1-ethyl-5-(5-nitro-2-furyl)pyrrolidin-2-one (4R,5S)-4-amino-1-ethyl-5-(5-nit…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.04 3.28 -70.47 3 7 1 107 240.239 3 ↓
Hi High (pH 8-9.5) -0.04 3 -15.37 2 7 0 105 239.231 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-ethyl-5-(5-nitro-2-furyl)pyrrolidin-2-one (4R,5R)-4-amino-1-ethyl-5-(5-nit…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.04 2.86 -74.47 3 7 1 107 240.239 3 ↓
Hi High (pH 8-9.5) -0.04 2.58 -14.53 2 7 0 105 239.231 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-ethyl-5-(5-nitro-2-furyl)pyrrolidin-2-one (4S,5S)-4-amino-1-ethyl-5-(5-nit…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.04 3.1 -73.63 3 7 1 107 240.239 3 ↓
Hi High (pH 8-9.5) -0.04 2.82 -17.26 2 7 0 105 239.231 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-ethyl-5-(5-nitro-2-furyl)pyrrolidin-2-one (4S,5R)-4-amino-1-ethyl-5-(5-nit…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.04 3.21 -71.05 3 7 1 107 240.239 3 ↓
Hi High (pH 8-9.5) -0.04 2.79 -18.04 2 7 0 105 239.231 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-5-(5-nitro-2-furyl)-1-propyl-pyrrolidin-2-one (4R,5S)-4-amino-5-(5-nitro-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) 0.46 4.05 -70.9 3 7 1 107 254.266 4 ↓
Hi High (pH 8-9.5) 0.46 3.76 -15.29 2 7 0 105 253.258 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-5-(5-nitro-2-furyl)-1-propyl-pyrrolidin-2-one (4R,5R)-4-amino-5-(5-nitro-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) 0.46 3.6 -74.9 3 7 1 107 254.266 4 ↓
Hi High (pH 8-9.5) 0.46 3.34 -14.47 2 7 0 105 253.258 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-5-(5-nitro-2-furyl)-1-propyl-pyrrolidin-2-one (4S,5S)-4-amino-5-(5-nitro-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) 0.46 3.86 -74.34 3 7 1 107 254.266 4 ↓
Hi High (pH 8-9.5) 0.46 3.58 -17.21 2 7 0 105 253.258 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-5-(5-nitro-2-furyl)-1-propyl-pyrrolidin-2-one (4S,5R)-4-amino-5-(5-nitro-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) 0.46 3.98 -71.29 3 7 1 107 254.266 4 ↓
Hi High (pH 8-9.5) 0.46 3.55 -18.01 2 7 0 105 253.258 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-isopropyl-5-(5-nitro-2-furyl)pyrrolidin-2-one (4R,5S)-4-amino-1-isopropyl-5-(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) 0.25 3.85 -70.51 3 7 1 107 254.266 3 ↓
Hi High (pH 8-9.5) 0.25 3.57 -15.23 2 7 0 105 253.258 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-isopropyl-5-(5-nitro-2-furyl)pyrrolidin-2-one (4R,5R)-4-amino-1-isopropyl-5-(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) 0.25 3.38 -75.04 3 7 1 107 254.266 3 ↓
Hi High (pH 8-9.5) 0.25 3.1 -13.75 2 7 0 105 253.258 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-isopropyl-5-(5-nitro-2-furyl)pyrrolidin-2-one (4S,5S)-4-amino-1-isopropyl-5-(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) 0.25 3.68 -74.29 3 7 1 107 254.266 3 ↓
Hi High (pH 8-9.5) 0.25 3.39 -16.93 2 7 0 105 253.258 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-isopropyl-5-(5-nitro-2-furyl)pyrrolidin-2-one (4S,5R)-4-amino-1-isopropyl-5-(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) 0.25 3.85 -70.54 3 7 1 107 254.266 3 ↓
Hi High (pH 8-9.5) 0.25 3.35 -17.15 2 7 0 105 253.258 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-tert-butyl-5-(5-nitro-2-furyl)pyrrolidin-2-one (4R,5S)-4-amino-1-tert-butyl-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) 0.77 4.17 -69.92 3 7 1 107 268.293 3 ↓
Hi High (pH 8-9.5) 0.77 3.88 -14.6 2 7 0 105 267.285 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-tert-butyl-5-(5-nitro-2-furyl)pyrrolidin-2-one (4R,5R)-4-amino-1-tert-butyl-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) 0.77 3.56 -75.04 3 7 1 107 268.293 3 ↓
Hi High (pH 8-9.5) 0.77 3.29 -14.24 2 7 0 105 267.285 3 ↓

Parameters Provided:

ring.id = 25115
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 = 25115 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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