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2038694
2038694

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Popular Name: adol adol

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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) 3.07 0.49 -38.05 2 2 1 24 220.336 3 ↓

Analogs

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Popular Name: (3R)-N-isopropyl-3-phenyl-pyrrolidine-1-carboxamidine (3R)-N-isopropyl-3-phenyl-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) 2.67 8.94 -27.25 3 3 1 41 232.351 4 ↓

Analogs

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Popular Name: (3S)-N-isopropyl-3-phenyl-pyrrolidine-1-carboxamidine (3S)-N-isopropyl-3-phenyl-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) 2.67 8.95 -27.17 3 3 1 41 232.351 4 ↓

Analogs

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Popular Name: (3S)-N'-hydroxy-3-phenyl-pyrrolidine-1-carboxamidine (3S)-N'-hydroxy-3-phenyl-pyrroli…

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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) 1.55 5.2 -6.7 3 4 0 62 205.261 2 ↓

Analogs

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Popular Name: (3R)-N'-hydroxy-3-phenyl-pyrrolidine-1-carboxamidine (3R)-N'-hydroxy-3-phenyl-pyrroli…

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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) 1.55 5.21 -7.75 3 4 0 62 205.261 2 ↓

Analogs

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Popular Name: (3R)-3-(4-ethylphenyl)pyrrolidin-3-ol (3R)-3-(4-ethylphenyl)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) 2.17 3.45 -40.44 3 2 1 37 192.282 2 ↓
Hi High (pH 8-9.5) 2.17 2.03 -3.28 2 2 0 32 191.274 2 ↓

Analogs

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Popular Name: (3S)-3-(4-ethylphenyl)pyrrolidin-3-ol (3S)-3-(4-ethylphenyl)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) 2.17 3.45 -39.32 3 2 1 37 192.282 2 ↓
Hi High (pH 8-9.5) 2.17 2.04 -2.96 2 2 0 32 191.274 2 ↓

Analogs

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Popular Name: (3R)-3-(3,5-dimethylphenyl)pyrrolidin-3-ol (3R)-3-(3,5-dimethylphenyl)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) 2.08 3.33 -40.75 3 2 1 37 192.282 1 ↓
Hi High (pH 8-9.5) 2.08 1.91 -3.57 2 2 0 32 191.274 1 ↓

Analogs

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Popular Name: (3S)-3-(3,5-dimethylphenyl)pyrrolidin-3-ol (3S)-3-(3,5-dimethylphenyl)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) 2.08 3.33 -39.62 3 2 1 37 192.282 1 ↓
Hi High (pH 8-9.5) 2.08 1.92 -3.18 2 2 0 32 191.274 1 ↓

Analogs

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Popular Name: (3R)-3-(3,4-dimethylphenyl)pyrrolidin-3-ol (3R)-3-(3,4-dimethylphenyl)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) 2.08 3.23 -40.4 3 2 1 37 192.282 1 ↓
Hi High (pH 8-9.5) 2.08 1.81 -3.61 2 2 0 32 191.274 1 ↓

Analogs

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Popular Name: (3S)-3-(3,4-dimethylphenyl)pyrrolidin-3-ol (3S)-3-(3,4-dimethylphenyl)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) 2.08 3.23 -39.41 3 2 1 37 192.282 1 ↓
Hi High (pH 8-9.5) 2.08 1.82 -3.28 2 2 0 32 191.274 1 ↓

Analogs

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Popular Name: (3R)-3-(2,4-dimethylphenyl)pyrrolidin-3-ol (3R)-3-(2,4-dimethylphenyl)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) 2.08 2.89 -38.72 3 2 1 37 192.282 1 ↓
Hi High (pH 8-9.5) 2.08 1.68 -3.92 2 2 0 32 191.274 1 ↓

Analogs

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Popular Name: (3S)-3-(2,4-dimethylphenyl)pyrrolidin-3-ol (3S)-3-(2,4-dimethylphenyl)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) 2.08 3.02 -38.55 3 2 1 37 192.282 1 ↓
Hi High (pH 8-9.5) 2.08 1.77 -3.26 2 2 0 32 191.274 1 ↓

Analogs

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Popular Name: (3R)-3-(2,3-dimethylphenyl)pyrrolidin-3-ol (3R)-3-(2,3-dimethylphenyl)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) 2.05 2.86 -38.61 3 2 1 37 192.282 1 ↓
Hi High (pH 8-9.5) 2.05 1.74 -3.04 2 2 0 32 191.274 1 ↓

Analogs

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Popular Name: (3S)-3-(2,3-dimethylphenyl)pyrrolidin-3-ol (3S)-3-(2,3-dimethylphenyl)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) 2.05 2.9 -38.69 3 2 1 37 192.282 1 ↓
Hi High (pH 8-9.5) 2.05 1.57 -3.18 2 2 0 32 191.274 1 ↓

Analogs

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Popular Name: (3S)-3-(2-nitrophenyl)pyrrolidine (3S)-3-(2-nitrophenyl)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) 1.74 5.77 -48.48 2 4 1 62 193.226 2 ↓

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Popular Name: (3R)-3-(2-nitrophenyl)pyrrolidine (3R)-3-(2-nitrophenyl)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) 1.74 5.65 -45.71 2 4 1 62 193.226 2 ↓

Analogs

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Popular Name: (3R)-3-(3-methoxyphenyl)pyrrolidin-3-ol (3R)-3-(3-methoxyphenyl)pyrrolid…

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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) 1.28 1.31 -43 3 3 1 46 194.254 2 ↓
Hi High (pH 8-9.5) 1.28 -0.11 -4.58 2 3 0 41 193.246 2 ↓

Analogs

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Popular Name: (3S)-3-(3-methoxyphenyl)pyrrolidin-3-ol (3S)-3-(3-methoxyphenyl)pyrrolid…

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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) 1.28 1.31 -39.48 3 3 1 46 194.254 2 ↓
Hi High (pH 8-9.5) 1.28 -0.1 -4.75 2 3 0 41 193.246 2 ↓

Analogs

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Popular Name: (3R)-3-(4-methoxyphenyl)pyrrolidin-3-ol (3R)-3-(4-methoxyphenyl)pyrrolid…

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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) 1.31 1.31 -42.83 3 3 1 46 194.254 2 ↓
Hi High (pH 8-9.5) 1.31 -0.11 -4.89 2 3 0 41 193.246 2 ↓

Analogs

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Popular Name: (3S)-3-(4-methoxyphenyl)pyrrolidin-3-ol (3S)-3-(4-methoxyphenyl)pyrrolid…

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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) 1.31 1.31 -42.43 3 3 1 46 194.254 2 ↓
Hi High (pH 8-9.5) 1.31 -0.1 -4.39 2 3 0 41 193.246 2 ↓

Analogs

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Popular Name: (3R)-3-(3,4-difluorophenyl)pyrrolidin-3-ol (3R)-3-(3,4-difluorophenyl)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) 1.50 2.13 -46.41 3 2 1 37 200.208 1 ↓
Hi High (pH 8-9.5) 1.50 0.71 -5.14 2 2 0 32 199.2 1 ↓

Analogs

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Popular Name: (3S)-3-(3,4-difluorophenyl)pyrrolidin-3-ol (3S)-3-(3,4-difluorophenyl)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) 1.50 2.13 -45.54 3 2 1 37 200.208 1 ↓
Hi High (pH 8-9.5) 1.50 0.72 -4.96 2 2 0 32 199.2 1 ↓

Analogs

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Popular Name: (3R)-3-(3,5-difluorophenyl)pyrrolidin-3-ol (3R)-3-(3,5-difluorophenyl)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) 1.50 2.14 -45.06 3 2 1 37 200.208 1 ↓
Hi High (pH 8-9.5) 1.50 0.73 -3.57 2 2 0 32 199.2 1 ↓

Analogs

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Popular Name: (3S)-3-(3,5-difluorophenyl)pyrrolidin-3-ol (3S)-3-(3,5-difluorophenyl)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) 1.50 2.15 -44.17 3 2 1 37 200.208 1 ↓
Hi High (pH 8-9.5) 1.50 0.73 -3.24 2 2 0 32 199.2 1 ↓

Analogs

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Popular Name: (3S)-3-(3-chloro-4-fluoro-phenyl)pyrrolidine (3S)-3-(3-chloro-4-fluoro-phenyl…

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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) 3.07 5.77 -44.86 2 1 1 17 200.664 1 ↓

Analogs

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Popular Name: (3R)-3-(3-chloro-4-fluoro-phenyl)pyrrolidine (3R)-3-(3-chloro-4-fluoro-phenyl…

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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) 3.07 5.77 -45.19 2 1 1 17 200.664 1 ↓

Analogs

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Popular Name: (3R)-3-(4-isopropylphenyl)pyrrolidin-3-ol (3R)-3-(4-isopropylphenyl)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) 2.76 3.94 -40.31 3 2 1 37 206.309 2 ↓
Hi High (pH 8-9.5) 2.76 2.52 -3.18 2 2 0 32 205.301 2 ↓

Analogs

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Popular Name: (3S)-3-(4-isopropylphenyl)pyrrolidin-3-ol (3S)-3-(4-isopropylphenyl)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) 2.76 3.94 -39.15 3 2 1 37 206.309 2 ↓
Hi High (pH 8-9.5) 2.76 2.53 -2.84 2 2 0 32 205.301 2 ↓

Analogs

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Popular Name: (2R,4R)-4-(3-fluoro-4-methoxy-phenyl)-2-methyl-pyrrolidine (2R,4R)-4-(3-fluoro-4-methoxy-ph…

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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) 2.78 5.18 -45.55 2 2 1 26 210.272 2 ↓

Analogs

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Popular Name: (2S,4R)-4-(3-fluoro-4-methoxy-phenyl)-2-methyl-pyrrolidine (2S,4R)-4-(3-fluoro-4-methoxy-ph…

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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) 2.78 5.2 -45.88 2 2 1 26 210.272 2 ↓

Analogs

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Popular Name: (2R,4S)-4-(3-fluoro-4-methoxy-phenyl)-2-methyl-pyrrolidine (2R,4S)-4-(3-fluoro-4-methoxy-ph…

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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) 2.78 5.17 -45.74 2 2 1 26 210.272 2 ↓

Analogs

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Popular Name: (2S,4S)-4-(3-fluoro-4-methoxy-phenyl)-2-methyl-pyrrolidine (2S,4S)-4-(3-fluoro-4-methoxy-ph…

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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) 2.78 5.2 -45.81 2 2 1 26 210.272 2 ↓

Analogs

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Popular Name: (3S)-3-(3,5-dichlorophenyl)pyrrolidine (3S)-3-(3,5-dichlorophenyl)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) 3.58 6.22 -43.15 2 1 1 17 217.119 1 ↓

Analogs

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Popular Name: (3R)-3-(3,5-dichlorophenyl)pyrrolidine (3R)-3-(3,5-dichlorophenyl)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) 3.58 6.22 -43.15 2 1 1 17 217.119 1 ↓

Analogs

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Popular Name: 3-(2,3-Dichlorophenyl)pyrrolidine 3-(2,3-Dichlorophenyl)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) 3.08 6.07 -44.54 2 1 1 17 217.119 1 ↓

Analogs

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Popular Name: 3-(2,3-Dichlorophenyl)pyrrolidine 3-(2,3-Dichlorophenyl)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) 3.08 6.07 -43.84 2 1 1 17 217.119 1 ↓

Analogs

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Popular Name: (3R)-3-(4-tert-butylphenyl)pyrrolidin-3-ol (3R)-3-(4-tert-butylphenyl)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) 2.96 4.33 -40.31 3 2 1 37 220.336 2 ↓
Hi High (pH 8-9.5) 2.96 2.91 -3.11 2 2 0 32 219.328 2 ↓

Analogs

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Popular Name: (3S)-3-(4-tert-butylphenyl)pyrrolidin-3-ol (3S)-3-(4-tert-butylphenyl)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) 2.96 4.33 -39.1 3 2 1 37 220.336 2 ↓
Hi High (pH 8-9.5) 2.96 2.92 -2.78 2 2 0 32 219.328 2 ↓

Analogs

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Popular Name: (3R)-3-(4-isopropoxyphenyl)pyrrolidin-3-ol (3R)-3-(4-isopropoxyphenyl)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) 2.05 2.86 -42.4 3 3 1 46 222.308 3 ↓
Hi High (pH 8-9.5) 2.05 1.44 -4.59 2 3 0 41 221.3 3 ↓

Analogs

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Popular Name: (3S)-3-(4-isopropoxyphenyl)pyrrolidin-3-ol (3S)-3-(4-isopropoxyphenyl)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) 2.05 2.87 -42.26 3 3 1 46 222.308 3 ↓
Hi High (pH 8-9.5) 2.05 1.46 -4.18 2 3 0 41 221.3 3 ↓

Analogs

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Popular Name: (3R)-3-(3,4-dimethoxyphenyl)pyrrolidin-3-ol (3R)-3-(3,4-dimethoxyphenyl)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) 0.90 1.22 -47.63 3 4 1 55 224.28 3 ↓
Hi High (pH 8-9.5) 0.90 -0.2 -7.2 2 4 0 51 223.272 3 ↓

Analogs

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Popular Name: (3S)-3-(3,4-dimethoxyphenyl)pyrrolidin-3-ol (3S)-3-(3,4-dimethoxyphenyl)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) 0.90 1.22 -46.28 3 4 1 55 224.28 3 ↓
Hi High (pH 8-9.5) 0.90 -0.19 -6.84 2 4 0 51 223.272 3 ↓

Analogs

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Popular Name: (2R,4R)-4-(3-chloro-4-methoxy-phenyl)-2-methyl-pyrrolidine (2R,4R)-4-(3-chloro-4-methoxy-ph…

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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) 3.29 5.66 -43.55 2 2 1 26 226.727 2 ↓

Analogs

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Popular Name: (2S,4R)-4-(3-chloro-4-methoxy-phenyl)-2-methyl-pyrrolidine (2S,4R)-4-(3-chloro-4-methoxy-ph…

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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) 3.29 5.67 -43.89 2 2 1 26 226.727 2 ↓

Analogs

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Popular Name: (2R,4S)-4-(3-chloro-4-methoxy-phenyl)-2-methyl-pyrrolidine (2R,4S)-4-(3-chloro-4-methoxy-ph…

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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) 3.29 5.65 -43.7 2 2 1 26 226.727 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-(3-chloro-4-methoxy-phenyl)-2-methyl-pyrrolidine (2S,4S)-4-(3-chloro-4-methoxy-ph…

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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) 3.29 5.67 -43.81 2 2 1 26 226.727 2 ↓

Analogs

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Popular Name: 3-(2-BROMOPHENYL) PYRROLIDINE HCL 3-(2-BROMOPHENYL) PYRROLIDINE HCL

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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) 2.59 5.69 -40.9 2 1 1 17 227.125 1 ↓

Analogs

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Popular Name: 3-(2-BROMOPHENYL) PYRROLIDINE HCL 3-(2-BROMOPHENYL) PYRROLIDINE HCL

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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) 2.59 5.7 -40.38 2 1 1 17 227.125 1 ↓

Analogs

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Popular Name: (3R)-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol (3R)-3-[3-(trifluoromethyl)pheny…

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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) 2.12 3 -46.16 3 2 1 37 232.225 2 ↓
Hi High (pH 8-9.5) 2.12 1.58 -4.83 2 2 0 32 231.217 2 ↓

Parameters Provided:

ring.id = 441
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 = 441 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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