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Analogs

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Popular Name: N-[[(2S)-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methyl]ethanamine N-[[(2S)-1-(2-pyrazol-1-ylethyl)…

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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) 0.62 4.71 -40 2 4 1 38 223.344 6 ↓
Mid Mid (pH 6-8) 0.62 6.51 -117.89 3 4 2 39 224.352 6 ↓

Analogs

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Popular Name: N-[[(2R)-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methyl]ethanamine N-[[(2R)-1-(2-pyrazol-1-ylethyl)…

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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) 0.62 3.56 -38.17 2 4 1 38 223.344 6 ↓
Mid Mid (pH 6-8) 0.62 5.86 -109.46 3 4 2 39 224.352 6 ↓

Analogs

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Popular Name: N-[[(2S)-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methyl]propan-1-amine N-[[(2S)-1-(2-pyrazol-1-ylethyl)…

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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) 1.12 5.47 -40.82 2 4 1 38 237.371 7 ↓
Mid Mid (pH 6-8) 1.12 7.26 -120.39 3 4 2 39 238.379 7 ↓

Analogs

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Popular Name: N-[[(2R)-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methyl]propan-1-amine N-[[(2R)-1-(2-pyrazol-1-ylethyl)…

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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) 1.12 5.49 -35.85 2 4 1 38 237.371 7 ↓
Mid Mid (pH 6-8) 1.12 7.31 -114.93 3 4 2 39 238.379 7 ↓

Analogs

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Popular Name: N-[[(2S)-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methyl]propan-2-amine N-[[(2S)-1-(2-pyrazol-1-ylethyl)…

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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) 1.26 5.23 -38.72 2 4 1 38 237.371 6 ↓
Mid Mid (pH 6-8) 1.26 7.04 -117.52 3 4 2 39 238.379 6 ↓

Analogs

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Popular Name: N-[[(2R)-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methyl]propan-2-amine N-[[(2R)-1-(2-pyrazol-1-ylethyl)…

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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) 1.26 4.08 -37.1 2 4 1 38 237.371 6 ↓
Mid Mid (pH 6-8) 1.26 6.43 -108.59 3 4 2 39 238.379 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[(2S)-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methyl]propan-2-amine 2-methyl-N-[[(2S)-1-(2-pyrazol-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) 1.78 5.66 -37.26 2 4 1 38 251.398 6 ↓
Mid Mid (pH 6-8) 1.78 7.48 -115.84 3 4 2 39 252.406 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[(2R)-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methyl]propan-2-amine 2-methyl-N-[[(2R)-1-(2-pyrazol-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) 1.78 5.71 -32.48 2 4 1 38 251.398 6 ↓
Mid Mid (pH 6-8) 1.78 7.5 -110.61 3 4 2 39 252.406 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[(2S)-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methyl]propan-1-amine 2-methyl-N-[[(2S)-1-(2-pyrazol-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) 1.36 6.17 -40.65 2 4 1 38 251.398 7 ↓
Mid Mid (pH 6-8) 1.36 7.95 -121.12 3 4 2 39 252.406 7 ↓

Analogs

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Popular Name: 2-methyl-N-[[(2R)-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methyl]propan-1-amine 2-methyl-N-[[(2R)-1-(2-pyrazol-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) 1.36 6.17 -35.84 2 4 1 38 251.398 7 ↓
Mid Mid (pH 6-8) 1.36 8 -115.95 3 4 2 39 252.406 7 ↓

Analogs

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Popular Name: 2-methoxy-N-[[(2S)-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methyl]ethanamine 2-methoxy-N-[[(2S)-1-(2-pyrazol-…

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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 3.86 -40.11 2 5 1 47 253.37 8 ↓
Hi High (pH 8-9.5) 0.23 2.15 -5.46 1 5 0 42 252.362 8 ↓
Mid Mid (pH 6-8) 0.23 5.64 -118.62 3 5 2 48 254.378 8 ↓

Analogs

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Popular Name: 2-methoxy-N-[[(2R)-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methyl]ethanamine 2-methoxy-N-[[(2R)-1-(2-pyrazol-…

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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 3.87 -35.74 2 5 1 47 253.37 8 ↓
Hi High (pH 8-9.5) 0.23 2.56 -6.25 1 5 0 42 252.362 8 ↓
Mid Mid (pH 6-8) 0.23 5.68 -111.37 3 5 2 48 254.378 8 ↓

Analogs

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Popular Name: 3,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde 3,5-dimethyl-1-(2-pyrrolidin-1-y…

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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) 0.98 6.43 -47.42 1 4 1 39 222.312 4 ↓
Hi High (pH 8-9.5) 0.98 3.97 -10.39 0 4 0 38 221.304 4 ↓

Analogs

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Popular Name: [3,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]methanol [3,5-dimethyl-1-(2-pyrrolidin-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) 0.53 3.87 -39.89 2 4 1 42 224.328 4 ↓
Hi High (pH 8-9.5) 0.53 1.42 -8.47 1 4 0 41 223.32 4 ↓

Analogs

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Popular Name: [3,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]methanamine [3,5-dimethyl-1-(2-pyrrolidin-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) 0.38 4.59 -95.5 4 4 2 50 224.352 4 ↓
Hi High (pH 8-9.5) 0.38 4.19 -37.29 3 4 1 48 223.344 4 ↓
Hi High (pH 8-9.5) 0.38 2.14 -47.25 3 4 1 49 223.344 4 ↓

Analogs

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Popular Name: 1-[3,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-N-methyl-methanamine 1-[3,5-dimethyl-1-(2-pyrrolidin-…

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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) 0.75 6.46 -90.68 3 4 2 39 238.379 5 ↓
Hi High (pH 8-9.5) 0.75 4.01 -41.9 2 4 1 38 237.371 5 ↓

Analogs

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Popular Name: N-[[3,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]methyl]ethanamine N-[[3,5-dimethyl-1-(2-pyrrolidin…

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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 7.37 -90.17 3 4 2 39 252.406 6 ↓
Hi High (pH 8-9.5) 1.13 4.91 -40.25 2 4 1 38 251.398 6 ↓

Analogs

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Popular Name: N-[[3,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]methyl]propan-1-amine N-[[3,5-dimethyl-1-(2-pyrrolidin…

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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) 1.63 8.12 -91.48 3 4 2 39 266.433 7 ↓
Hi High (pH 8-9.5) 1.63 5.66 -41 2 4 1 38 265.425 7 ↓

Analogs

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Popular Name: N-[[3,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]methyl]propan-2-amine N-[[3,5-dimethyl-1-(2-pyrrolidin…

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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) 1.42 7.84 -89.09 3 4 2 39 266.433 6 ↓
Hi High (pH 8-9.5) 1.42 5.39 -39.51 2 4 1 38 265.425 6 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(2-pyrazol-1-yle…

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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 6.6 -52.29 1 5 0 62 223.276 4 ↓
Hi High (pH 8-9.5) 0.41 4.13 -51 0 5 -1 61 222.268 4 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(2-pyrazol-1-yle…

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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 6.58 -49.45 1 5 0 62 223.276 4 ↓
Hi High (pH 8-9.5) 0.41 4.1 -48.1 0 5 -1 61 222.268 4 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(2-pyrazol-1-ylet…

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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) 0.74 7.12 -47.11 1 5 0 62 237.303 5 ↓
Hi High (pH 8-9.5) 0.74 4.57 -50.33 0 5 -1 61 236.295 5 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(2-pyrazol-1-ylet…

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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) 0.74 7.07 -52.86 1 5 0 62 237.303 5 ↓
Hi High (pH 8-9.5) 0.74 4.53 -48.25 0 5 -1 61 236.295 5 ↓

Analogs

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Popular Name: (3S)-3-propyl-1-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxylic (3S)-3-propyl-1-(2-pyrazol-1-yle…

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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) 1.30 7.89 -47.1 1 5 0 62 251.33 6 ↓
Hi High (pH 8-9.5) 1.30 5.35 -50.75 0 5 -1 61 250.322 6 ↓

Analogs

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Popular Name: (3R)-3-propyl-1-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxylic (3R)-3-propyl-1-(2-pyrazol-1-yle…

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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) 1.30 7.84 -52.93 1 5 0 62 251.33 6 ↓
Hi High (pH 8-9.5) 1.30 5.3 -48.68 0 5 -1 61 250.322 6 ↓

Analogs

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Popular Name: 1-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethyl]pyrazol-4-amine 1-[2-[(3R)-3-(dimethylamino)pyrr…

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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) -0.02 2.16 -37.01 3 5 1 52 224.332 4 ↓
Hi High (pH 8-9.5) -0.02 -0.24 -5.52 2 5 0 50 223.324 4 ↓
Lo Low (pH 4.5-6) -0.02 4.51 -106.07 4 5 2 53 225.34 4 ↓

Analogs

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Popular Name: 1-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethyl]pyrazol-4-amine 1-[2-[(3S)-3-(dimethylamino)pyrr…

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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) -0.02 2.13 -36.68 3 5 1 52 224.332 4 ↓
Hi High (pH 8-9.5) -0.02 -0.26 -5.15 2 5 0 50 223.324 4 ↓
Lo Low (pH 4.5-6) -0.02 4.59 -105.87 4 5 2 53 225.34 4 ↓

Analogs

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Popular Name: 1-[2-[(3R)-3-(diethylamino)pyrrolidin-1-yl]ethyl]pyrazol-4-amine 1-[2-[(3R)-3-(diethylamino)pyrro…

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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 3.21 -34.9 3 5 1 52 252.386 6 ↓
Hi High (pH 8-9.5) 0.73 1.1 -5.08 2 5 0 50 251.378 6 ↓
Lo Low (pH 4.5-6) 0.73 5.56 -106.56 4 5 2 53 253.394 6 ↓

Analogs

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Popular Name: 1-[2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]ethyl]pyrazol-4-amine 1-[2-[(3S)-3-(diethylamino)pyrro…

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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 3.18 -34.55 3 5 1 52 252.386 6 ↓
Hi High (pH 8-9.5) 0.73 1 -4.82 2 5 0 50 251.378 6 ↓
Lo Low (pH 4.5-6) 0.73 5.64 -106.41 4 5 2 53 253.394 6 ↓

Analogs

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Popular Name: (3S)-1-[2-[4-[(isopentylamino)methyl]-3-methyl-pyrazol-1-yl]ethyl]pyrrolidin-3-ol (3S)-1-[2-[4-[(isopentylamino)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) 1.26 5.6 -94.69 4 5 2 59 296.459 8 ↓
Hi High (pH 8-9.5) 1.26 3.1 -44.55 3 5 1 58 295.451 8 ↓

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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) -0.54 6.17 -42.31 3 8 1 95 324.405 7 ↓
Hi High (pH 8-9.5) -0.54 4.08 -11.93 2 8 0 94 323.397 7 ↓

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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) -0.54 6.08 -45.07 3 8 1 95 324.405 7 ↓
Hi High (pH 8-9.5) -0.54 4.16 -14.87 2 8 0 94 323.397 7 ↓

Analogs

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Popular Name: 4-chloro-3-nitro-1-(2-pyrrolidin-1-ylethyl)pyrazole 4-chloro-3-nitro-1-(2-pyrrolidin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.51 7.78 -51.07 1 6 1 68 245.69 4 ↓
Hi High (pH 8-9.5) 1.51 5.32 -9.93 0 6 0 67 244.682 4 ↓

Analogs

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Popular Name: [(2R)-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanamine [(2R)-1-(2-pyrazol-1-ylethyl)pyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.39 0.8 -44.25 3 4 1 49 195.29 4 ↓
Lo Low (pH 4.5-6) -0.39 3.14 -113.68 4 4 2 50 196.298 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanamine [(2S)-1-(2-pyrazol-1-ylethyl)pyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.39 2.02 -45.92 3 4 1 49 195.29 4 ↓
Lo Low (pH 4.5-6) -0.39 3.81 -123.24 4 4 2 50 196.298 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxylic (2R)-1-(2-pyrazol-1-ylethyl)pyrr…

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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) -1.40 5.84 -45.02 1 5 0 62 209.249 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxylic (2S)-1-(2-pyrazol-1-ylethyl)pyrr…

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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) -1.40 6.18 -35.12 1 5 0 62 209.249 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(2-pyrazol-1-ylethyl)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) 0.32 6.84 -43.8 1 5 0 62 223.276 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(2-pyrazol-1-ylethyl)p…

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) 0.32 6.83 -36.67 1 5 0 62 223.276 5 ↓

Parameters Provided:

ring.id = 104335
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 = 104335 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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