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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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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) 3.43 5.52 -10.85 1 6 0 72 319.405 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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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) 3.43 5.62 -11.31 1 6 0 72 319.405 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3R)-1-methyl-2-(2-pyridyl)pyrrolidin-3-yl]methanamine [(2R,3R)-1-methyl-2-(2-pyridyl)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) 0.06 1.38 -43.59 3 3 1 44 192.286 2 ↓
Lo Low (pH 4.5-6) 0.06 3.79 -96.95 4 3 2 45 193.294 2 ↓
Lo Low (pH 4.5-6) 0.06 1.96 -97.11 4 3 2 45 193.294 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-1-methyl-2-(2-pyridyl)pyrrolidin-3-yl]methanamine [(2R,3S)-1-methyl-2-(2-pyridyl)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) 0.06 1.42 -45.61 3 3 1 44 192.286 2 ↓
Lo Low (pH 4.5-6) 0.06 3.65 -100.29 4 3 2 45 193.294 2 ↓
Lo Low (pH 4.5-6) 0.06 2.35 -97.45 4 3 2 45 193.294 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(2S,3S)-1-methyl-2-(2-pyridyl)pyrrolidin-3-yl]methanamine N-methyl-1-[(2S,3S)-1-methyl-2-(…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.04 3.22 -39 2 3 1 33 206.313 3 ↓
Lo Low (pH 4.5-6) 1.04 5.63 -92.67 3 3 2 34 207.321 3 ↓
Lo Low (pH 4.5-6) 1.04 3.89 -92.39 3 3 2 34 207.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(2S,3R)-1-methyl-2-(2-pyridyl)pyrrolidin-3-yl]methanamine N-methyl-1-[(2S,3R)-1-methyl-2-(…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.04 4.04 -38.22 2 3 1 33 206.313 3 ↓
Lo Low (pH 4.5-6) 1.04 5.7 -97.5 3 3 2 34 207.321 3 ↓
Lo Low (pH 4.5-6) 1.04 4.2 -92.15 3 3 2 34 207.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3S)-1-methyl-2-(2-pyridyl)pyrrolidin-3-yl]methyl]ethanamine N-[[(2S,3S)-1-methyl-2-(2-pyridy…

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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) 1.07 4.08 -37.54 2 3 1 33 220.34 4 ↓
Lo Low (pH 4.5-6) 1.07 6.49 -92.46 3 3 2 34 221.348 4 ↓
Lo Low (pH 4.5-6) 1.07 4.75 -92.47 3 3 2 34 221.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3R)-1-methyl-2-(2-pyridyl)pyrrolidin-3-yl]methyl]ethanamine N-[[(2S,3R)-1-methyl-2-(2-pyridy…

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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) 1.07 4.9 -37.17 2 3 1 33 220.34 4 ↓
Lo Low (pH 4.5-6) 1.07 6.56 -98.16 3 3 2 34 221.348 4 ↓
Lo Low (pH 4.5-6) 1.07 5.06 -92.4 3 3 2 34 221.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3R)-1-ethyl-2-(2-pyridyl)pyrrolidin-3-yl]methanamine [(2R,3R)-1-ethyl-2-(2-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) 0.44 2.23 -43.41 3 3 1 44 206.313 3 ↓
Lo Low (pH 4.5-6) 0.44 4.5 -97.1 4 3 2 45 207.321 3 ↓
Lo Low (pH 4.5-6) 0.44 2.8 -97.79 4 3 2 45 207.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-1-ethyl-2-(2-pyridyl)pyrrolidin-3-yl]methanamine [(2R,3S)-1-ethyl-2-(2-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) 0.44 2.24 -45.7 3 3 1 44 206.313 3 ↓
Lo Low (pH 4.5-6) 0.44 3.16 -98.29 4 3 2 45 207.321 3 ↓
Lo Low (pH 4.5-6) 0.44 4.63 -102.47 4 3 2 45 207.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,3R)-1-ethyl-2-(2-pyridyl)pyrrolidin-3-yl]-N-methyl-methanamine 1-[(2R,3R)-1-ethyl-2-(2-pyridyl)…

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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 4.1 -38.74 2 3 1 33 220.34 4 ↓
Lo Low (pH 4.5-6) 1.42 6.38 -92.85 3 3 2 34 221.348 4 ↓
Lo Low (pH 4.5-6) 1.42 4.68 -92.98 3 3 2 34 221.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,3S)-1-ethyl-2-(2-pyridyl)pyrrolidin-3-yl]-N-methyl-methanamine 1-[(2R,3S)-1-ethyl-2-(2-pyridyl)…

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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 4.12 -40.53 2 3 1 33 220.34 4 ↓
Lo Low (pH 4.5-6) 1.42 6.2 -95.85 3 3 2 34 221.348 4 ↓
Lo Low (pH 4.5-6) 1.42 5.03 -93.37 3 3 2 34 221.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3R)-1-propyl-2-(2-pyridyl)pyrrolidin-3-yl]methanamine [(2R,3R)-1-propyl-2-(2-pyridyl)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) 0.94 2.98 -43.38 3 3 1 44 220.34 4 ↓
Lo Low (pH 4.5-6) 0.94 5.24 -98.29 4 3 2 45 221.348 4 ↓
Lo Low (pH 4.5-6) 0.94 3.55 -98.2 4 3 2 45 221.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-1-propyl-2-(2-pyridyl)pyrrolidin-3-yl]methanamine [(2R,3S)-1-propyl-2-(2-pyridyl)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) 0.94 2.98 -45.65 3 3 1 44 220.34 4 ↓
Lo Low (pH 4.5-6) 0.94 5.39 -103.54 4 3 2 45 221.348 4 ↓
Lo Low (pH 4.5-6) 0.94 3.9 -98.7 4 3 2 45 221.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3R)-1-isopropyl-2-(2-pyridyl)pyrrolidin-3-yl]methanamine [(2R,3R)-1-isopropyl-2-(2-pyridy…

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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 2.55 -43.09 3 3 1 44 220.34 3 ↓
Lo Low (pH 4.5-6) 0.73 4.76 -96.85 4 3 2 45 221.348 3 ↓
Lo Low (pH 4.5-6) 0.73 3.11 -98.16 4 3 2 45 221.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-1-isopropyl-2-(2-pyridyl)pyrrolidin-3-yl]methanamine [(2R,3S)-1-isopropyl-2-(2-pyridy…

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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 2.73 -45.69 3 3 1 44 220.34 3 ↓
Lo Low (pH 4.5-6) 0.73 5.14 -101.78 4 3 2 45 221.348 3 ↓
Lo Low (pH 4.5-6) 0.73 3.66 -98.61 4 3 2 45 221.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-1-methyl-2-(2-pyridyl)pyrrolidin-3-amine (2R,3S)-1-methyl-2-(2-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) -0.25 1.15 -38.07 3 3 1 44 178.259 1 ↓
Hi High (pH 8-9.5) -0.25 1.31 -4.17 2 3 0 42 177.251 1 ↓
Lo Low (pH 4.5-6) -0.25 1.74 -99.97 4 3 2 45 179.267 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-1-methyl-2-(2-pyridyl)pyrrolidin-3-amine (2R,3R)-1-methyl-2-(2-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) -0.25 0.71 -43.59 3 3 1 44 178.259 1 ↓
Hi High (pH 8-9.5) -0.25 0.43 -4.93 2 3 0 42 177.251 1 ↓
Lo Low (pH 4.5-6) -0.25 1.65 -102.16 4 3 2 45 179.267 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-1-ethyl-2-(2-pyridyl)pyrrolidin-3-amine (2R,3S)-1-ethyl-2-(2-pyridyl)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) 0.12 2 -38.19 3 3 1 44 192.286 2 ↓
Hi High (pH 8-9.5) 0.12 1.89 -4.06 2 3 0 42 191.278 2 ↓
Lo Low (pH 4.5-6) 0.12 2.57 -101.04 4 3 2 45 193.294 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-1-ethyl-2-(2-pyridyl)pyrrolidin-3-amine (2R,3R)-1-ethyl-2-(2-pyridyl)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) 0.12 1.53 -43.99 3 3 1 44 192.286 2 ↓
Hi High (pH 8-9.5) 0.12 1.2 -4.65 2 3 0 42 191.278 2 ↓
Lo Low (pH 4.5-6) 0.12 2.46 -103.49 4 3 2 45 193.294 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-1-propyl-2-(2-pyridyl)pyrrolidin-3-amine (2R,3S)-1-propyl-2-(2-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) 0.63 2.76 -38.18 3 3 1 44 206.313 3 ↓
Hi High (pH 8-9.5) 0.63 2.64 -3.96 2 3 0 42 205.305 3 ↓
Lo Low (pH 4.5-6) 0.63 3.33 -101.61 4 3 2 45 207.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-1-propyl-2-(2-pyridyl)pyrrolidin-3-amine (2R,3R)-1-propyl-2-(2-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) 0.63 2.27 -44.07 3 3 1 44 206.313 3 ↓
Hi High (pH 8-9.5) 0.63 1.95 -4.55 2 3 0 42 205.305 3 ↓
Lo Low (pH 4.5-6) 0.63 3.19 -104.06 4 3 2 45 207.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-1-isopropyl-2-(2-pyridyl)pyrrolidin-3-amine (2R,3S)-1-isopropyl-2-(2-pyridyl…

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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 2.3 -37.95 3 3 1 44 206.313 2 ↓
Hi High (pH 8-9.5) 0.42 1.98 -4.48 2 3 0 42 205.305 2 ↓
Lo Low (pH 4.5-6) 0.42 2.87 -101.51 4 3 2 45 207.321 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-1-isopropyl-2-(2-pyridyl)pyrrolidin-3-amine (2R,3R)-1-isopropyl-2-(2-pyridyl…

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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 2.02 -44.03 3 3 1 44 206.313 2 ↓
Hi High (pH 8-9.5) 0.42 1.8 -3.96 2 3 0 42 205.305 2 ↓
Lo Low (pH 4.5-6) 0.42 4.04 -26.85 3 3 1 43 206.313 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-1-tert-butyl-2-(2-pyridyl)pyrrolidin-3-amine (2R,3S)-1-tert-butyl-2-(2-pyridy…

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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) 0.94 2.74 -41.3 3 3 1 44 220.34 2 ↓
Hi High (pH 8-9.5) 0.94 2.57 -4.69 2 3 0 42 219.332 2 ↓
Hi High (pH 8-9.5) 0.94 4.58 -25.93 3 3 1 43 220.34 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-1-tert-butyl-2-(2-pyridyl)pyrrolidin-3-amine (2R,3R)-1-tert-butyl-2-(2-pyridy…

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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) 0.94 2.38 -49.04 3 3 1 44 220.34 2 ↓
Hi High (pH 8-9.5) 0.94 2.1 -4.05 2 3 0 42 219.332 2 ↓
Hi High (pH 8-9.5) 0.94 4.27 -25.27 3 3 1 43 220.34 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-1-isobutyl-2-(2-pyridyl)pyrrolidin-3-amine (2R,3S)-1-isobutyl-2-(2-pyridyl)…

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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) 0.87 3.7 -38.05 3 3 1 44 220.34 3 ↓
Hi High (pH 8-9.5) 0.87 3.36 -4.26 2 3 0 42 219.332 3 ↓
Lo Low (pH 4.5-6) 0.87 5.39 -28.7 3 3 1 43 220.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-1-isobutyl-2-(2-pyridyl)pyrrolidin-3-amine (2R,3R)-1-isobutyl-2-(2-pyridyl)…

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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) 0.87 3.23 -44.08 3 3 1 44 220.34 3 ↓
Hi High (pH 8-9.5) 0.87 3.19 -3.82 2 3 0 42 219.332 3 ↓
Lo Low (pH 4.5-6) 0.87 5.21 -27.72 3 3 1 43 220.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-1-(2-methoxyethyl)-2-(2-pyridyl)pyrrolidin-3-amine (2R,3S)-1-(2-methoxyethyl)-2-(2-…

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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 1.07 -40.07 3 4 1 53 222.312 4 ↓
Hi High (pH 8-9.5) -0.27 0.96 -6.32 2 4 0 51 221.304 4 ↓
Lo Low (pH 4.5-6) -0.27 1.65 -101.44 4 4 2 54 223.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-1-(2-methoxyethyl)-2-(2-pyridyl)pyrrolidin-3-amine (2R,3R)-1-(2-methoxyethyl)-2-(2-…

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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 0.61 -46.79 3 4 1 53 222.312 4 ↓
Hi High (pH 8-9.5) -0.27 0.27 -6.77 2 4 0 51 221.304 4 ↓
Lo Low (pH 4.5-6) -0.27 1.53 -105.18 4 4 2 54 223.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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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) 0.11 2.91 -11.66 1 6 0 72 263.297 4 ↓
Lo Low (pH 4.5-6) 0.11 3.43 -35.41 2 6 1 73 264.305 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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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) 0.11 2.91 -11.62 1 6 0 72 263.297 4 ↓
Lo Low (pH 4.5-6) 0.11 3.44 -35.4 2 6 1 73 264.305 4 ↓

Analogs

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Popular Name: N-methyl-N-[2-oxo-2-[(2R)-2-(2-pyridyl)pyrrolidin-1-yl]ethyl]methanesulfonamide N-methyl-N-[2-oxo-2-[(2R)-2-(2-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) -0.12 3.33 -23.93 0 6 0 71 297.38 4 ↓
Lo Low (pH 4.5-6) -0.12 3.85 -39.59 1 6 1 72 298.388 4 ↓

Analogs

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Popular Name: N-methyl-N-[2-oxo-2-[(2S)-2-(2-pyridyl)pyrrolidin-1-yl]ethyl]methanesulfonamide N-methyl-N-[2-oxo-2-[(2S)-2-(2-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) -0.12 3.33 -22.72 0 6 0 71 297.38 4 ↓
Lo Low (pH 4.5-6) -0.12 3.86 -42.7 1 6 1 72 298.388 4 ↓

Analogs

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Popular Name: (2R)-N-propyl-2-(2-pyridyl)pyrrolidine-1-carboxamide (2R)-N-propyl-2-(2-pyridyl)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) 2.24 5.19 -10.27 1 4 0 45 233.315 3 ↓
Lo Low (pH 4.5-6) 2.24 5.95 -31.48 2 4 1 46 234.323 3 ↓

Analogs

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Popular Name: (2S)-N-propyl-2-(2-pyridyl)pyrrolidine-1-carboxamide (2S)-N-propyl-2-(2-pyridyl)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) 2.24 4.83 -10.58 1 4 0 45 233.315 3 ↓
Lo Low (pH 4.5-6) 2.24 5.95 -31.51 2 4 1 46 234.323 3 ↓

Analogs

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Popular Name: (2R)-N-(3-methoxypropyl)-2-(2-pyridyl)pyrrolidine-1-carboxamide (2R)-N-(3-methoxypropyl)-2-(2-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) 1.61 4.25 -10.58 1 5 0 54 263.341 5 ↓
Lo Low (pH 4.5-6) 1.61 5.01 -32.56 2 5 1 56 264.349 5 ↓

Analogs

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Popular Name: (2S)-N-(3-methoxypropyl)-2-(2-pyridyl)pyrrolidine-1-carboxamide (2S)-N-(3-methoxypropyl)-2-(2-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) 1.61 3.89 -10.98 1 5 0 54 263.341 5 ↓
Lo Low (pH 4.5-6) 1.61 5.01 -32.59 2 5 1 56 264.349 5 ↓

Analogs

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Popular Name: (2R)-N-isobutyl-2-(2-pyridyl)pyrrolidine-1-carboxamide (2R)-N-isobutyl-2-(2-pyridyl)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) 2.48 5.93 -9.95 1 4 0 45 247.342 3 ↓
Lo Low (pH 4.5-6) 2.48 6.69 -31.33 2 4 1 46 248.35 3 ↓

Analogs

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Popular Name: (2S)-N-isobutyl-2-(2-pyridyl)pyrrolidine-1-carboxamide (2S)-N-isobutyl-2-(2-pyridyl)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) 2.48 5.57 -10.28 1 4 0 45 247.342 3 ↓
Lo Low (pH 4.5-6) 2.48 6.7 -31.31 2 4 1 46 248.35 3 ↓

Analogs

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Popular Name: (2R)-N-[(1R)-1-methylpropyl]-2-(2-pyridyl)pyrrolidine-1-carboxamide (2R)-N-[(1R)-1-methylpropyl]-2-(…

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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) 2.57 6.19 -10.14 1 4 0 45 247.342 3 ↓
Lo Low (pH 4.5-6) 2.57 6.95 -31.08 2 4 1 46 248.35 3 ↓

Analogs

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Popular Name: (2R)-N-[(1S)-1-methylpropyl]-2-(2-pyridyl)pyrrolidine-1-carboxamide (2R)-N-[(1S)-1-methylpropyl]-2-(…

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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) 2.57 6.19 -10.16 1 4 0 45 247.342 3 ↓
Lo Low (pH 4.5-6) 2.57 6.95 -31.03 2 4 1 46 248.35 3 ↓

Analogs

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Popular Name: (2S)-N-[(1R)-1-methylpropyl]-2-(2-pyridyl)pyrrolidine-1-carboxamide (2S)-N-[(1R)-1-methylpropyl]-2-(…

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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) 2.57 5.83 -10.46 1 4 0 45 247.342 3 ↓
Lo Low (pH 4.5-6) 2.57 6.95 -31.05 2 4 1 46 248.35 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-1-methylpropyl]-2-(2-pyridyl)pyrrolidine-1-carboxamide (2S)-N-[(1S)-1-methylpropyl]-2-(…

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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) 2.57 5.83 -10.46 1 4 0 45 247.342 3 ↓
Lo Low (pH 4.5-6) 2.57 6.95 -31.13 2 4 1 46 248.35 3 ↓

Analogs

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Popular Name: (2R)-N-(2-acetamidoethyl)-2-(2-pyridyl)pyrrolidine-1-carboxamide (2R)-N-(2-acetamidoethyl)-2-(2-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) 0.51 2.76 -14.75 2 6 0 74 276.34 4 ↓
Lo Low (pH 4.5-6) 0.51 3.52 -37.67 3 6 1 76 277.348 4 ↓

Analogs

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Popular Name: (2S)-N-(2-acetamidoethyl)-2-(2-pyridyl)pyrrolidine-1-carboxamide (2S)-N-(2-acetamidoethyl)-2-(2-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) 0.51 2.41 -15.13 2 6 0 74 276.34 4 ↓
Lo Low (pH 4.5-6) 0.51 3.52 -37.71 3 6 1 76 277.348 4 ↓

Analogs

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Popular Name: 2-Pyridin-2-yl-pyrrolidine-1-sulfonic acid dimethylamide 2-Pyridin-2-yl-pyrrolidine-1-sul…

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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 3.11 -14.08 0 5 0 54 255.343 3 ↓

Analogs

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Popular Name: 2-Pyridin-2-yl-pyrrolidine-1-sulfonic acid dimethylamide 2-Pyridin-2-yl-pyrrolidine-1-sul…

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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 3 -14.23 0 5 0 54 255.343 3 ↓

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