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Analogs

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Popular Name: (2R)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidine-2-carboxylic (2R)-1-[(1-ethylimidazol-2-yl)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) -1.54 7.5 -64.95 2 5 1 64 224.284 4 ↓
Hi High (pH 8-9.5) -1.54 5.13 -48.54 0 5 -1 61 222.268 4 ↓
Hi High (pH 8-9.5) -1.54 5.77 -41.8 1 5 0 62 223.276 4 ↓

Analogs

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Popular Name: (2S)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidine-2-carboxylic (2S)-1-[(1-ethylimidazol-2-yl)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) -1.54 7.83 -74.91 2 5 1 64 224.284 4 ↓
Hi High (pH 8-9.5) -1.54 6.33 -50.35 1 5 0 62 223.276 4 ↓
Hi High (pH 8-9.5) -1.54 5.53 -46.34 0 5 -1 61 222.268 4 ↓

Analogs

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Popular Name: 2-[(2R)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-2-yl]acetic 2-[(2R)-1-[(1-ethylimidazol-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 8.15 -90.76 2 5 1 64 238.311 5 ↓
Hi High (pH 8-9.5) 0.18 5 -57.59 0 5 -1 61 236.295 5 ↓
Hi High (pH 8-9.5) 0.18 6.19 -52.97 1 5 0 62 237.303 5 ↓

Analogs

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Popular Name: 2-[(2S)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-2-yl]acetic 2-[(2S)-1-[(1-ethylimidazol-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 8.33 -66.26 2 5 1 64 238.311 5 ↓
Hi High (pH 8-9.5) 0.18 6.19 -41.29 0 5 -1 61 236.295 5 ↓
Hi High (pH 8-9.5) 0.18 6.7 -38.9 1 5 0 62 237.303 5 ↓

Analogs

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Popular Name: (3S)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine (3S)-1-[(1-ethylimidazol-2-yl)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) -0.73 2.58 -87.82 4 4 2 50 196.298 3 ↓
Hi High (pH 8-9.5) -0.73 1.32 -51.9 3 4 1 49 195.29 3 ↓

Analogs

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Popular Name: (3R)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine (3R)-1-[(1-ethylimidazol-2-yl)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) -0.73 2.6 -86.96 4 4 2 50 196.298 3 ↓
Hi High (pH 8-9.5) -0.73 2.09 -49.87 3 4 1 49 195.29 3 ↓

Analogs

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Popular Name: [(3R)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanamine [(3R)-1-[(1-ethylimidazol-2-yl)m…

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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 3.28 -83.88 4 4 2 50 210.325 4 ↓
Hi High (pH 8-9.5) -0.41 2.02 -52.52 3 4 1 49 209.317 4 ↓

Analogs

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Popular Name: [(3S)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanamine [(3S)-1-[(1-ethylimidazol-2-yl)m…

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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 3.3 -83.59 4 4 2 50 210.325 4 ↓
Hi High (pH 8-9.5) -0.41 2.79 -49.9 3 4 1 49 209.317 4 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.91 6.7 -8.93 0 5 0 47 251.33 6 ↓
Mid Mid (pH 6-8) 0.91 7.11 -31.02 1 5 1 49 252.338 6 ↓
Lo Low (pH 4.5-6) 0.91 8.58 -32.81 1 5 1 49 252.338 6 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.91 6.47 -8.94 0 5 0 47 251.33 6 ↓
Mid Mid (pH 6-8) 0.91 7.34 -31.34 1 5 1 49 252.338 6 ↓
Lo Low (pH 4.5-6) 0.91 8.43 -32.99 1 5 1 49 252.338 6 ↓

Analogs

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Popular Name: [(2R)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanol [(2R)-1-[(1-ethylimidazol-2-yl)m…

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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 4.75 -94.98 3 4 2 44 211.309 4 ↓
Hi High (pH 8-9.5) 0.04 2.23 -8.19 1 4 0 41 209.293 4 ↓
Hi High (pH 8-9.5) 0.04 2.65 -28.52 2 4 1 43 210.301 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanol [(2S)-1-[(1-ethylimidazol-2-yl)m…

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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 4.68 -96.41 3 4 2 44 211.309 4 ↓
Hi High (pH 8-9.5) 0.04 3.04 -28.5 2 4 1 43 210.301 4 ↓
Hi High (pH 8-9.5) 0.04 2.5 -8.31 1 4 0 41 209.293 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanol [(3S)-1-[(1-ethylimidazol-2-yl)m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.15 2.58 -29.75 2 4 1 43 210.301 4 ↓
Hi High (pH 8-9.5) 0.15 1.32 -9.35 1 4 0 41 209.293 4 ↓
Mid Mid (pH 6-8) 0.15 4.57 -102.63 3 4 2 44 211.309 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanol [(3R)-1-[(1-ethylimidazol-2-yl)m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.15 2.61 -29.08 2 4 1 43 210.301 4 ↓
Hi High (pH 8-9.5) 0.15 2.11 -8.53 1 4 0 41 209.293 4 ↓
Mid Mid (pH 6-8) 0.15 4.49 -102.04 3 4 2 44 211.309 4 ↓

Analogs

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Popular Name: 3-[(2R)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol 3-[(2R)-1-[(1-ethylimidazol-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) 0.58 3.73 -30.28 2 4 1 43 238.355 6 ↓
Hi High (pH 8-9.5) 0.58 2.68 -9.38 1 4 0 41 237.347 6 ↓
Mid Mid (pH 6-8) 0.58 5.67 -100.22 3 4 2 44 239.363 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol 3-[(2S)-1-[(1-ethylimidazol-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) 0.58 4.34 -27.5 2 4 1 43 238.355 6 ↓
Hi High (pH 8-9.5) 0.58 3.88 -6.7 1 4 0 41 237.347 6 ↓
Mid Mid (pH 6-8) 0.58 5.92 -96.57 3 4 2 44 239.363 6 ↓

Analogs

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Popular Name: (3R)-1-[(1-ethylimidazol-2-yl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(1-ethylimidazol-2-yl)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) 0.27 8.28 -97.15 2 5 1 64 238.311 4 ↓
Hi High (pH 8-9.5) 0.27 5.34 -47.98 0 5 -1 61 236.295 4 ↓
Hi High (pH 8-9.5) 0.27 5.88 -54.28 1 5 0 62 237.303 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(1-ethylimidazol-2-yl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(1-ethylimidazol-2-yl)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) 0.27 8.29 -97.09 2 5 1 64 238.311 4 ↓
Hi High (pH 8-9.5) 0.27 6.29 -54.82 1 5 0 62 237.303 4 ↓
Hi High (pH 8-9.5) 0.27 5.03 -46.53 0 5 -1 61 236.295 4 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[(1-methylimidaz…

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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 7.04 -99.5 2 5 1 64 224.284 3 ↓
Hi High (pH 8-9.5) -0.10 4.47 -48.75 0 5 -1 61 222.268 3 ↓
Hi High (pH 8-9.5) -0.10 4.58 -59.45 1 5 0 62 223.276 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(1-methylimidaz…

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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 7.32 -98.76 2 5 1 64 224.284 3 ↓
Hi High (pH 8-9.5) -0.10 4.89 -58.13 1 5 0 62 223.276 3 ↓
Hi High (pH 8-9.5) -0.10 4.5 -48.03 0 5 -1 61 222.268 3 ↓

Analogs

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Popular Name: (3S)-1-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(5-chloro-1-methyl-imida…

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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) 0.70 7.28 -47.16 1 5 0 62 257.721 3 ↓
Hi High (pH 8-9.5) 0.70 4.83 -46.64 0 5 -1 61 256.713 3 ↓

Analogs

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Popular Name: (3R)-1-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(5-chloro-1-methyl-imida…

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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) 0.70 7.22 -46.59 1 5 0 62 257.721 3 ↓
Hi High (pH 8-9.5) 0.70 4.88 -45.88 0 5 -1 61 256.713 3 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(1-ethylimidazol…

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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 8.75 -91.54 2 5 1 64 252.338 5 ↓
Hi High (pH 8-9.5) 0.61 6.36 -53.98 1 5 0 62 251.33 5 ↓
Hi High (pH 8-9.5) 0.61 5.77 -48.25 0 5 -1 61 250.322 5 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(1-ethylimidazol…

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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 8.74 -97.21 2 5 1 64 252.338 5 ↓
Hi High (pH 8-9.5) 0.61 6.33 -46.77 0 5 -1 61 250.322 5 ↓
Hi High (pH 8-9.5) 0.61 6.74 -56.8 1 5 0 62 251.33 5 ↓

Analogs

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Popular Name: (3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[[1-(difluoromethyl)imida…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.79 7.44 -48.84 1 5 0 62 273.283 5 ↓
Hi High (pH 8-9.5) 0.79 5.12 -47.72 0 5 -1 61 272.275 5 ↓

Analogs

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Popular Name: (3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[[1-(difluoromethyl)imida…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.79 7.35 -43.79 1 5 0 62 273.283 5 ↓
Hi High (pH 8-9.5) 0.79 5.04 -44.88 0 5 -1 61 272.275 5 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(1-methylimidazo…

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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) 0.23 7.55 -92.77 2 5 1 64 238.311 4 ↓
Hi High (pH 8-9.5) 0.23 4.92 -48.47 0 5 -1 61 236.295 4 ↓
Hi High (pH 8-9.5) 0.23 5.02 -55.95 1 5 0 62 237.303 4 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(1-methylimidazo…

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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) 0.23 7.81 -97.96 2 5 1 64 238.311 4 ↓
Hi High (pH 8-9.5) 0.23 5.39 -56.69 1 5 0 62 237.303 4 ↓
Hi High (pH 8-9.5) 0.23 5 -46.99 0 5 -1 61 236.295 4 ↓

Analogs

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Popular Name: (3S)-1-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[(5-chloro-1-methyl-imida…

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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) 1.03 7.79 -43.12 1 5 0 62 271.748 4 ↓
Hi High (pH 8-9.5) 1.03 5.28 -46.43 0 5 -1 61 270.74 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[(5-chloro-1-methyl-imida…

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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) 1.03 7.71 -45.35 1 5 0 62 271.748 4 ↓
Hi High (pH 8-9.5) 1.03 5.38 -44.8 0 5 -1 61 270.74 4 ↓

Analogs

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Popular Name: (3S)-1-[(1-ethylimidazol-2-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(1-ethylimidazol-2-yl)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) 1.17 9.52 -91.52 2 5 1 64 266.365 6 ↓
Hi High (pH 8-9.5) 1.17 6.55 -48.63 0 5 -1 61 264.349 6 ↓
Hi High (pH 8-9.5) 1.17 7.11 -54.09 1 5 0 62 265.357 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1-ethylimidazol-2-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(1-ethylimidazol-2-yl)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) 1.17 9.46 -96.29 2 5 1 64 266.365 6 ↓
Hi High (pH 8-9.5) 1.17 7.07 -53.28 1 5 0 62 265.357 6 ↓
Hi High (pH 8-9.5) 1.17 6.5 -47.87 0 5 -1 61 264.349 6 ↓

Analogs

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Popular Name: (3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[[1-(difluoromethyl)imida…

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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) 1.35 8.26 -43.8 1 5 0 62 287.31 6 ↓
Hi High (pH 8-9.5) 1.35 5.88 -52.37 0 5 -1 61 286.302 6 ↓

Analogs

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Popular Name: (3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[[1-(difluoromethyl)imida…

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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) 1.35 8.2 -43.83 1 5 0 62 287.31 6 ↓
Hi High (pH 8-9.5) 1.35 5.82 -48.04 0 5 -1 61 286.302 6 ↓

Analogs

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Popular Name: (3S)-1-[(1-methylimidazol-2-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(1-methylimidazol-2-yl)m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.79 8.31 -92.75 2 5 1 64 252.338 5 ↓
Hi High (pH 8-9.5) 0.79 5.77 -56.13 1 5 0 62 251.33 5 ↓
Hi High (pH 8-9.5) 0.79 5.68 -48.94 0 5 -1 61 250.322 5 ↓

Analogs

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Popular Name: (3R)-1-[(1-methylimidazol-2-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(1-methylimidazol-2-yl)m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.79 8.26 -96.23 2 5 1 64 252.338 5 ↓
Hi High (pH 8-9.5) 0.79 5.63 -48.19 0 5 -1 61 250.322 5 ↓
Hi High (pH 8-9.5) 0.79 5.72 -53.73 1 5 0 62 251.33 5 ↓

Analogs

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Popular Name: (3S)-1-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(5-chloro-1-methyl-imida…

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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) 1.59 8.56 -43.01 1 5 0 62 285.775 5 ↓
Hi High (pH 8-9.5) 1.59 6.03 -46.8 0 5 -1 61 284.767 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(5-chloro-1-methyl-imida…

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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) 1.59 8.5 -47.95 1 5 0 62 285.775 5 ↓
Hi High (pH 8-9.5) 1.59 5.99 -45 0 5 -1 61 284.767 5 ↓

Analogs

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Popular Name: (2S)-N,N-diethyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide (2S)-N,N-diethyl-1-[(1-methylimi…

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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) 0.40 6.18 -30.71 1 5 1 43 265.381 5 ↓
Hi High (pH 8-9.5) 0.40 5.78 -10.8 0 5 0 41 264.373 5 ↓
Mid Mid (pH 6-8) 0.40 8.32 -96.1 2 5 2 44 266.389 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N,N-diethyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide (2R)-N,N-diethyl-1-[(1-methylimi…

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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) 0.40 5.65 -27.95 1 5 1 43 265.381 5 ↓
Hi High (pH 8-9.5) 0.40 5.01 -10.76 0 5 0 41 264.373 5 ↓
Mid Mid (pH 6-8) 0.40 7.88 -94.84 2 5 2 44 266.389 5 ↓

Analogs

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Popular Name: (2S,4R)-4-(dimethylamino)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidine-2-carboxylic (2S,4R)-4-(dimethylamino)-1-[(1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.29 6.91 -26.69 1 6 0 66 280.372 6 ↓
Hi High (pH 8-9.5) -1.29 4.92 -47 0 6 -1 64 279.364 6 ↓
Hi High (pH 8-9.5) -1.29 5.79 -50.04 1 6 0 66 280.372 6 ↓

Analogs

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Popular Name: (2S,4R)-4-amino-N-methyl-1-[(1-propylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide (2S,4R)-4-amino-N-methyl-1-[(1-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) -1.13 2.12 -100.96 5 6 2 79 267.377 5 ↓
Hi High (pH 8-9.5) -1.13 1.17 -50.95 4 6 1 78 266.369 5 ↓
Hi High (pH 8-9.5) -1.13 0.9 -11.41 3 6 0 76 265.361 5 ↓

Parameters Provided:

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