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Analogs

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Popular Name: (3R,4R)-4-(3-pyridyl)pyrrolidine-3-carboxylic (3R,4R)-4-(3-pyridyl)pyrrolidine…

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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) -0.07 3.52 -56.51 2 4 0 70 192.218 2 ↓
Hi High (pH 8-9.5) -0.07 2.06 -45.75 1 4 -1 65 191.21 2 ↓
Lo Low (pH 4.5-6) -0.07 3.99 -67.29 3 4 1 71 193.226 2 ↓

Analogs

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Popular Name: SS-2108 SS-2108

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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) -0.07 3.8 -52.7 2 4 0 70 192.218 2 ↓
Hi High (pH 8-9.5) -0.07 2.34 -44.06 1 4 -1 65 191.21 2 ↓
Lo Low (pH 4.5-6) -0.07 4.27 -85.59 3 4 1 71 193.226 2 ↓

Analogs

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Popular Name: (3S,4S)-4-(3-pyridyl)pyrrolidine-3-carboxylic (3S,4S)-4-(3-pyridyl)pyrrolidine…

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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) -0.07 3.66 -55.45 2 4 0 70 192.218 2 ↓
Hi High (pH 8-9.5) -0.07 2.21 -43.88 1 4 -1 65 191.21 2 ↓
Lo Low (pH 4.5-6) -0.07 4.12 -68.55 3 4 1 71 193.226 2 ↓

Analogs

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Popular Name: (3R,4S)-4-methyl-4-(3-pyridyl)pyrrolidine-3-carboxylic (3R,4S)-4-methyl-4-(3-pyridyl)py…

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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) 0.56 4.15 -52.38 2 4 0 70 206.245 2 ↓
Hi High (pH 8-9.5) 0.56 3 -44.85 1 4 -1 65 205.237 2 ↓
Lo Low (pH 4.5-6) 0.56 4.62 -93.84 3 4 1 71 207.253 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-4-methyl-4-(3-pyridyl)pyrrolidine-3-carboxylic (3R,4R)-4-methyl-4-(3-pyridyl)py…

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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) 0.56 3.89 -63.31 2 4 0 70 206.245 2 ↓
Hi High (pH 8-9.5) 0.56 2.44 -48.05 1 4 -1 65 205.237 2 ↓
Lo Low (pH 4.5-6) 0.56 4.36 -65.96 3 4 1 71 207.253 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-4-methyl-4-(3-pyridyl)pyrrolidine-3-carboxylic (3S,4S)-4-methyl-4-(3-pyridyl)py…

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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) 0.56 3.88 -63.3 2 4 0 70 206.245 2 ↓
Hi High (pH 8-9.5) 0.56 2.43 -48.93 1 4 -1 65 205.237 2 ↓
Lo Low (pH 4.5-6) 0.56 4.35 -66.03 3 4 1 71 207.253 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-4-methyl-4-(3-pyridyl)pyrrolidine-3-carboxylic (3S,4R)-4-methyl-4-(3-pyridyl)py…

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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) 0.56 4.09 -48.69 2 4 0 70 206.245 2 ↓
Hi High (pH 8-9.5) 0.56 2.63 -48.12 1 4 -1 65 205.237 2 ↓
Lo Low (pH 4.5-6) 0.56 4.55 -87.17 3 4 1 71 207.253 2 ↓

Analogs

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Popular Name: (3R)-1-methyl-3-(6-methyl-3-pyridyl)pyrrolidin-3-ol (3R)-1-methyl-3-(6-methyl-3-pyri…

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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 2.91 -36.67 2 3 1 38 193.27 1 ↓

Analogs

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Popular Name: (3S)-1-methyl-3-(6-methyl-3-pyridyl)pyrrolidin-3-ol (3S)-1-methyl-3-(6-methyl-3-pyri…

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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 2.93 -36.59 2 3 1 38 193.27 1 ↓

Analogs

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Popular Name: 3-[(2R,3R)-2-isobutyl-3-methyl-pyrrolidin-3-yl]pyridine 3-[(2R,3R)-2-isobutyl-3-methyl-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.85 6.23 -41.56 2 2 1 29 219.352 3 ↓
Lo Low (pH 4.5-6) 2.85 7.23 -93.4 3 2 2 31 220.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S,3R)-2-isobutyl-3-methyl-pyrrolidin-3-yl]pyridine 3-[(2S,3R)-2-isobutyl-3-methyl-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.85 6.58 -40.64 2 2 1 29 219.352 3 ↓
Lo Low (pH 4.5-6) 2.85 6.73 -91.38 3 2 2 31 220.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R,3S)-2-isobutyl-3-methyl-pyrrolidin-3-yl]pyridine 3-[(2R,3S)-2-isobutyl-3-methyl-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.85 6.16 -41.83 2 2 1 29 219.352 3 ↓
Lo Low (pH 4.5-6) 2.85 7.06 -93.87 3 2 2 31 220.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S,3S)-2-isobutyl-3-methyl-pyrrolidin-3-yl]pyridine 3-[(2S,3S)-2-isobutyl-3-methyl-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.85 6.37 -41.52 2 2 1 29 219.352 3 ↓
Lo Low (pH 4.5-6) 2.85 6.8 -95.03 3 2 2 31 220.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R,3S)-2-isobutylpyrrolidin-3-yl]pyridine 3-[(2R,3S)-2-isobutylpyrrolidin-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.23 5.96 -44.41 2 2 1 29 205.325 3 ↓
Lo Low (pH 4.5-6) 2.23 6.84 -91.83 3 2 2 31 206.333 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S,3S)-2-isobutylpyrrolidin-3-yl]pyridine 3-[(2S,3S)-2-isobutylpyrrolidin-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.23 6.15 -41.86 2 2 1 29 205.325 3 ↓
Lo Low (pH 4.5-6) 2.23 6.64 -92.45 3 2 2 31 206.333 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R,3R)-2-isobutylpyrrolidin-3-yl]pyridine 3-[(2R,3R)-2-isobutylpyrrolidin-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.23 6.06 -41.78 2 2 1 29 205.325 3 ↓
Lo Low (pH 4.5-6) 2.23 6.19 -91.47 3 2 2 31 206.333 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S,3R)-2-isobutylpyrrolidin-3-yl]pyridine 3-[(2S,3R)-2-isobutylpyrrolidin-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.23 6.25 -41.3 2 2 1 29 205.325 3 ↓
Lo Low (pH 4.5-6) 2.23 6.42 -92.8 3 2 2 31 206.333 3 ↓

Analogs

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Popular Name: (3S,4R)-1-tert-Butyl 3-methyl 4-(6-Bromo-5-pival-amidopyridin-3-yl)pyrrolidine-1,3-dicarboxylate (3S,4R)-1-tert-Butyl 3-methyl 4-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.79 8.43 -14.05 1 8 0 98 484.391 7 ↓

Analogs

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Popular Name: (3S)-3-(2-amino-3-pyridyl)-1-methyl-pyrrolidin-3-ol (3S)-3-(2-amino-3-pyridyl)-1-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) 0.03 1.5 -37.49 4 4 1 64 194.258 1 ↓
Lo Low (pH 4.5-6) 0.03 1.97 -86.55 5 4 2 65 195.266 1 ↓

Analogs

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Popular Name: (3R)-3-(2-amino-3-pyridyl)-1-methyl-pyrrolidin-3-ol (3R)-3-(2-amino-3-pyridyl)-1-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) 0.03 1.44 -37.21 4 4 1 64 194.258 1 ↓
Lo Low (pH 4.5-6) 0.03 1.92 -85.84 5 4 2 65 195.266 1 ↓

Analogs

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Popular Name: (3S)-3-(4-amino-3-pyridyl)-1-methyl-pyrrolidin-3-ol (3S)-3-(4-amino-3-pyridyl)-1-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) -0.33 1.12 -85.23 5 4 2 65 195.266 1 ↓
Hi High (pH 8-9.5) -0.33 0.65 -39.13 4 4 1 64 194.258 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(4-amino-3-pyridyl)-1-methyl-pyrrolidin-3-ol (3R)-3-(4-amino-3-pyridyl)-1-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) -0.33 1.22 -85.52 5 4 2 65 195.266 1 ↓
Hi High (pH 8-9.5) -0.33 0.74 -39.46 4 4 1 64 194.258 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(2-amino-3-pyridyl)pyrrolidin-3-ol (3R)-3-(2-amino-3-pyridyl)pyrrol…

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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 -0.42 -41.11 5 4 1 76 180.231 1 ↓
Hi High (pH 8-9.5) -0.21 -1.83 -5.43 4 4 0 71 179.223 1 ↓
Mid Mid (pH 6-8) -0.21 0.05 -91.79 6 4 2 77 181.239 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(2-amino-3-pyridyl)pyrrolidin-3-ol (3S)-3-(2-amino-3-pyridyl)pyrrol…

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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 -0.61 -42.13 5 4 1 76 180.231 1 ↓
Hi High (pH 8-9.5) -0.21 -2.03 -4.73 4 4 0 71 179.223 1 ↓
Mid Mid (pH 6-8) -0.21 -0.14 -91.15 6 4 2 77 181.239 1 ↓

Analogs

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Popular Name: (3R)-3-(4-amino-3-pyridyl)pyrrolidin-3-ol (3R)-3-(4-amino-3-pyridyl)pyrrol…

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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) -0.57 -0.76 -89.6 6 4 2 77 181.239 1 ↓
Hi High (pH 8-9.5) -0.57 -2.17 -33 5 4 1 72 180.231 1 ↓
Hi High (pH 8-9.5) -0.57 -1.23 -43.25 5 4 1 76 180.231 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(4-amino-3-pyridyl)pyrrolidin-3-ol (3S)-3-(4-amino-3-pyridyl)pyrrol…

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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) -0.57 -0.98 -89.51 6 4 2 77 181.239 1 ↓
Hi High (pH 8-9.5) -0.57 -2.4 -31.42 5 4 1 72 180.231 1 ↓
Hi High (pH 8-9.5) -0.57 -1.45 -43.92 5 4 1 76 180.231 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(2-amino-4-methyl-3-pyridyl)-1-methyl-pyrrolidin-3-ol (3R)-3-(2-amino-4-methyl-3-pyrid…

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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 1.65 -37.14 4 4 1 64 208.285 1 ↓
Mid Mid (pH 6-8) 0.41 2.11 -84.01 5 4 2 65 209.293 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(2-amino-4-methyl-3-pyridyl)-1-methyl-pyrrolidin-3-ol (3S)-3-(2-amino-4-methyl-3-pyrid…

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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 1.55 -37.74 4 4 1 64 208.285 1 ↓
Mid Mid (pH 6-8) 0.41 1.99 -84.43 5 4 2 65 209.293 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(2-amino-4-methyl-3-pyridyl)pyrrolidin-3-ol (3R)-3-(2-amino-4-methyl-3-pyrid…

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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 -0.18 -89.2 6 4 2 77 195.266 1 ↓
Hi High (pH 8-9.5) 0.16 -1.21 -4.76 4 4 0 71 193.25 1 ↓
Mid Mid (pH 6-8) 0.16 -0.63 -41.28 5 4 1 76 194.258 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(2-amino-4-methyl-3-pyridyl)pyrrolidin-3-ol (3S)-3-(2-amino-4-methyl-3-pyrid…

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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 -0.17 -88.1 6 4 2 77 195.266 1 ↓
Hi High (pH 8-9.5) 0.16 -1.94 -5.9 4 4 0 71 193.25 1 ↓
Mid Mid (pH 6-8) 0.16 -0.62 -42.1 5 4 1 76 194.258 1 ↓

Analogs

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Popular Name: (3R)-3-(2-amino-5-methyl-3-pyridyl)-1-methyl-pyrrolidin-3-ol (3R)-3-(2-amino-5-methyl-3-pyrid…

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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 2.44 -36.55 4 4 1 64 208.285 1 ↓
Lo Low (pH 4.5-6) 0.46 2.92 -87.13 5 4 2 65 209.293 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(2-amino-5-methyl-3-pyridyl)-1-methyl-pyrrolidin-3-ol (3S)-3-(2-amino-5-methyl-3-pyrid…

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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 2.23 -37.61 4 4 1 64 208.285 1 ↓
Lo Low (pH 4.5-6) 0.46 2.71 -86.84 5 4 2 65 209.293 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(2-amino-5-methyl-3-pyridyl)pyrrolidin-3-ol (3R)-3-(2-amino-5-methyl-3-pyrid…

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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) 0.22 0.2 -41.13 5 4 1 76 194.258 1 ↓
Hi High (pH 8-9.5) 0.22 -1.2 -5.35 4 4 0 71 193.25 1 ↓
Mid Mid (pH 6-8) 0.22 0.68 -91.7 6 4 2 77 195.266 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(2-amino-5-methyl-3-pyridyl)pyrrolidin-3-ol (3S)-3-(2-amino-5-methyl-3-pyrid…

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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) 0.22 0.03 -42.2 5 4 1 76 194.258 1 ↓
Hi High (pH 8-9.5) 0.22 -1.4 -4.68 4 4 0 71 193.25 1 ↓
Mid Mid (pH 6-8) 0.22 0.5 -91.11 6 4 2 77 195.266 1 ↓

Analogs

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Popular Name: (3S)-3-(2-amino-5-chloro-3-pyridyl)-1-methyl-pyrrolidin-3-ol (3S)-3-(2-amino-5-chloro-3-pyrid…

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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) 0.86 1.59 -38.01 4 4 1 64 228.703 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(2-amino-5-chloro-3-pyridyl)-1-methyl-pyrrolidin-3-ol (3R)-3-(2-amino-5-chloro-3-pyrid…

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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) 0.86 1.94 -38.87 4 4 1 64 228.703 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(2-amino-5-chloro-3-pyridyl)pyrrolidin-3-ol (3R)-3-(2-amino-5-chloro-3-pyrid…

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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) 0.61 0.04 -43.16 5 4 1 76 214.676 1 ↓
Hi High (pH 8-9.5) 0.61 -1.39 -4.42 4 4 0 71 213.668 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(2-amino-5-chloro-3-pyridyl)pyrrolidin-3-ol (3S)-3-(2-amino-5-chloro-3-pyrid…

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) 0.61 -0.12 -44.03 5 4 1 76 214.676 1 ↓
Hi High (pH 8-9.5) 0.61 -1.54 -3.81 4 4 0 71 213.668 1 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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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 = 260748 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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