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

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Popular Name: 4-amino-2-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]phenol 4-amino-2-[[(2S)-2-phenylpyrroli…

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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) 2.72 5.75 -29.55 4 3 1 51 269.368 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]phenol 4-amino-2-[[(2R)-2-phenylpyrroli…

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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) 2.72 5.86 -33.17 4 3 1 51 269.368 3 ↓

Analogs

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Popular Name: 2-amino-4-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]phenol 2-amino-4-[[(2S)-2-phenylpyrroli…

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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) 2.92 6.3 -35.43 4 3 1 51 269.368 3 ↓

Analogs

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Popular Name: 2-amino-4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]phenol 2-amino-4-[[(2R)-2-phenylpyrroli…

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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) 2.92 5.6 -34.72 4 3 1 51 269.368 3 ↓

Analogs

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Popular Name: 3-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]aniline 3-[[(2S)-2-phenylpyrrolidin-1-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) 2.78 9.04 -32.12 3 2 1 30 253.369 3 ↓

Analogs

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Popular Name: 3-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]aniline 3-[[(2R)-2-phenylpyrrolidin-1-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) 2.78 9.02 -31.62 3 2 1 30 253.369 3 ↓

Analogs

40908874
40908874
40908875
40908875

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]aniline 4-[[(2S)-2-phenylpyrrolidin-1-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) 2.80 9.04 -31.68 3 2 1 30 253.369 3 ↓

Analogs

40908874
40908874
40908875
40908875

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]aniline 4-[[(2R)-2-phenylpyrrolidin-1-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) 2.80 9.03 -31.36 3 2 1 30 253.369 3 ↓

Analogs

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Popular Name: 2-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]aniline 2-[[(2S)-2-phenylpyrrolidin-1-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) 3.16 9.3 -31.08 3 2 1 30 253.369 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]aniline 2-[[(2R)-2-phenylpyrrolidin-1-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) 3.16 9.23 -30.62 3 2 1 30 253.369 3 ↓

Analogs

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Popular Name: 4-fluoro-2-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]aniline 4-fluoro-2-[[(2S)-2-phenylpyrrol…

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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) 3.30 9.37 -34.43 3 2 1 30 271.359 3 ↓

Analogs

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Popular Name: 4-fluoro-2-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]aniline 4-fluoro-2-[[(2R)-2-phenylpyrrol…

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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) 3.30 8.41 -35.45 3 2 1 30 271.359 3 ↓

Analogs

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Popular Name: 3-bromo-2-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]aniline 3-bromo-2-[[(2S)-2-phenylpyrroli…

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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) 3.92 9.82 -29.34 3 2 1 30 332.265 3 ↓
Hi High (pH 8-9.5) 3.92 8.08 -4.2 2 2 0 29 331.257 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-2-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]aniline 3-bromo-2-[[(2R)-2-phenylpyrroli…

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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) 3.92 8.92 -29.27 3 2 1 30 332.265 3 ↓
Hi High (pH 8-9.5) 3.92 6.56 -3.34 2 2 0 29 331.257 3 ↓

Analogs

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Popular Name: 2-chloro-5-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]aniline 2-chloro-5-[[(2S)-2-phenylpyrrol…

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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) 3.82 9.62 -36.05 3 2 1 30 287.814 3 ↓

Analogs

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Popular Name: 2-chloro-5-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]aniline 2-chloro-5-[[(2R)-2-phenylpyrrol…

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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) 3.82 8.91 -34.89 3 2 1 30 287.814 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]aniline 4-chloro-3-[[(2S)-2-phenylpyrrol…

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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) 3.41 9.59 -30.2 3 2 1 30 287.814 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]aniline 4-chloro-3-[[(2R)-2-phenylpyrrol…

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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) 3.41 9.54 -30.34 3 2 1 30 287.814 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-3-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]aniline 4-methoxy-3-[[(2R)-2-phenylpyrro…

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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) 2.79 7.96 -28.6 3 3 1 40 283.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-3-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]aniline 4-methoxy-3-[[(2S)-2-phenylpyrro…

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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) 2.79 8.53 -29.13 3 3 1 40 283.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-5-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]aniline 2-methoxy-5-[[(2R)-2-phenylpyrro…

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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) 3.19 7.76 -33.42 3 3 1 40 283.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-5-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]aniline 2-methoxy-5-[[(2S)-2-phenylpyrro…

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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) 3.19 8.44 -33.88 3 3 1 40 283.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-3-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]aniline 2-methyl-3-[[(2R)-2-phenylpyrrol…

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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) 3.56 9.14 -30.92 3 2 1 30 267.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-3-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]aniline 2-methyl-3-[[(2S)-2-phenylpyrrol…

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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) 3.56 9.1 -31.11 3 2 1 30 267.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]phenyl]methanamine [2-[[(2S)-2-phenylpyrrolidin-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) 2.86 9.19 -111.84 4 2 2 32 268.404 4 ↓
Hi High (pH 8-9.5) 2.86 9.33 -27.33 3 2 1 30 267.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]phenyl]methanamine [2-[[(2R)-2-phenylpyrrolidin-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) 2.86 9.17 -103.62 4 2 2 32 268.404 4 ↓
Hi High (pH 8-9.5) 2.86 8.8 -28.74 3 2 1 30 267.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]phenyl]methanamine [4-[[(2S)-2-phenylpyrrolidin-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) 2.91 9.2 -90.94 4 2 2 32 268.404 4 ↓
Hi High (pH 8-9.5) 2.91 8.8 -32.94 3 2 1 30 267.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]phenyl]methanamine [4-[[(2R)-2-phenylpyrrolidin-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) 2.91 9.19 -90.84 4 2 2 32 268.404 4 ↓
Hi High (pH 8-9.5) 2.91 8.79 -32.87 3 2 1 30 267.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-fluoro-4-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]phenyl]methanamine [3-fluoro-4-[[(2S)-2-phenylpyrro…

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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) 3.00 9.32 -91.82 4 2 2 32 286.394 4 ↓
Hi High (pH 8-9.5) 3.00 7.15 -5.67 2 2 0 29 284.378 4 ↓
Hi High (pH 8-9.5) 3.00 8.92 -32.99 3 2 1 30 285.386 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-fluoro-4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]phenyl]methanamine [3-fluoro-4-[[(2R)-2-phenylpyrro…

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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) 3.00 9.28 -93.96 4 2 2 32 286.394 4 ↓
Hi High (pH 8-9.5) 3.00 7.11 -5.54 2 2 0 29 284.378 4 ↓
Hi High (pH 8-9.5) 3.00 8.88 -33.01 3 2 1 30 285.386 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-fluoro-3-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]phenyl]methanamine [4-fluoro-3-[[(2S)-2-phenylpyrro…

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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) 3.00 9.32 -101.31 4 2 2 32 286.394 4 ↓
Hi High (pH 8-9.5) 3.00 7.1 -4.83 2 2 0 29 284.378 4 ↓
Hi High (pH 8-9.5) 3.00 7.5 -52.88 3 2 1 31 285.386 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-fluoro-3-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]phenyl]methanamine [4-fluoro-3-[[(2R)-2-phenylpyrro…

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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) 3.00 9.33 -103.93 4 2 2 32 286.394 4 ↓
Hi High (pH 8-9.5) 3.00 7.18 -4.6 2 2 0 29 284.378 4 ↓
Hi High (pH 8-9.5) 3.00 7.58 -52.38 3 2 1 31 285.386 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]phenyl]methanamine [3-[[(2S)-2-phenylpyrrolidin-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) 2.89 9.19 -100.52 4 2 2 32 268.404 4 ↓
Hi High (pH 8-9.5) 2.89 8.79 -31.52 3 2 1 30 267.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]phenyl]methanamine [3-[[(2R)-2-phenylpyrrolidin-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) 2.89 9.18 -95.71 4 2 2 32 268.404 4 ↓
Hi High (pH 8-9.5) 2.89 8.78 -31.69 3 2 1 30 267.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-3-nitro-benzamide 4-[[(2S)-2-(3-methoxyphenyl)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) 2.46 6.62 -20.45 2 7 0 101 355.394 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-3-nitro-benzamide 4-[[(2R)-2-(3-methoxyphenyl)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) 2.46 6.14 -19.24 2 7 0 101 355.394 6 ↓

Analogs

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Popular Name: (2S)-1-[(4-nitrophenyl)methyl]-2-phenyl-pyrrolidine (2S)-1-[(4-nitrophenyl)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) 3.68 10.08 -7 0 4 0 49 282.343 4 ↓

Analogs

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Popular Name: (2R)-1-[(4-nitrophenyl)methyl]-2-phenyl-pyrrolidine (2R)-1-[(4-nitrophenyl)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) 3.68 10.1 -6.56 0 4 0 49 282.343 4 ↓

Analogs

44135356
44135356
44135358
44135358

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]benzonitrile 2-[[(2S)-2-phenylpyrrolidin-1-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) 3.43 9.77 -7.31 0 2 0 27 262.356 3 ↓

Analogs

44135356
44135356
44135358
44135358

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]benzonitrile 2-[[(2R)-2-phenylpyrrolidin-1-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) 3.43 9.66 -6.89 0 2 0 27 262.356 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-phenyl-3-[(2S)-2-phenylpyrrolidin-1-yl]propan-1-amine (3S)-3-phenyl-3-[(2S)-2-phenylpy…

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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) 2.98 7.62 -42.49 3 2 1 31 281.423 5 ↓
Mid Mid (pH 6-8) 2.98 9.35 -108.64 4 2 2 32 282.431 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-phenyl-3-[(2R)-2-phenylpyrrolidin-1-yl]propan-1-amine (3S)-3-phenyl-3-[(2R)-2-phenylpy…

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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) 2.98 7.88 -44.37 3 2 1 31 281.423 5 ↓
Mid Mid (pH 6-8) 2.98 9.3 -109.81 4 2 2 32 282.431 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]methyl]-3-nitro-benzamide 4-[[(2S)-2-(4-hydroxyphenyl)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) 1.95 4.48 -21.9 3 7 0 112 341.367 5 ↓
Mid Mid (pH 6-8) 1.95 5.85 -56.04 4 7 1 114 342.375 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2R)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]methyl]-3-nitro-benzamide 4-[[(2R)-2-(4-hydroxyphenyl)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) 1.95 3.99 -20.1 3 7 0 112 341.367 5 ↓
Mid Mid (pH 6-8) 1.95 5.56 -56 4 7 1 114 342.375 5 ↓

Parameters Provided:

ring.id = 62388
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 = 62388 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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