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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: N-phenethyl-3-pyrrolidin-1-yl-propan-1-amine N-phenethyl-3-pyrrolidin-1-yl-pr…

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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) 2.26 9.19 -108.69 3 2 2 21 234.387 7 ↓
Hi High (pH 8-9.5) 2.26 7.77 -34.24 2 2 1 16 233.379 7 ↓
Mid Mid (pH 6-8) 2.26 6.67 -43.74 2 2 1 20 233.379 7 ↓

Analogs

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Popular Name: (2R)-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine (2R)-2-phenyl-N-(3-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) 3.05 9.75 -109.39 3 2 2 21 248.414 7 ↓
Mid Mid (pH 6-8) 3.05 7.23 -43.29 2 2 1 20 247.406 7 ↓
Mid Mid (pH 6-8) 3.05 8.47 -34.15 2 2 1 16 247.406 7 ↓

Analogs

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Popular Name: (2S)-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine (2S)-2-phenyl-N-(3-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) 3.05 9.75 -109.43 3 2 2 21 248.414 7 ↓
Mid Mid (pH 6-8) 3.05 7.23 -43.27 2 2 1 20 247.406 7 ↓
Mid Mid (pH 6-8) 3.05 8.35 -34.46 2 2 1 16 247.406 7 ↓

Analogs

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Popular Name: (2S)-2-methyl-N-phenethyl-3-pyrrolidin-1-yl-propan-1-amine (2S)-2-methyl-N-phenethyl-3-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) 2.73 9.97 -104.11 3 2 2 21 248.414 7 ↓
Mid Mid (pH 6-8) 2.73 7.79 -41.66 2 2 1 20 247.406 7 ↓

Analogs

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Popular Name: (2R)-2-methyl-N-phenethyl-3-pyrrolidin-1-yl-propan-1-amine (2R)-2-methyl-N-phenethyl-3-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) 2.73 9.96 -109.03 3 2 2 21 248.414 7 ↓
Mid Mid (pH 6-8) 2.73 7.86 -39.28 2 2 1 20 247.406 7 ↓

Analogs

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Popular Name: (2S)-2-methyl-N-[(2S)-2-phenylpropyl]-3-pyrrolidin-1-yl-propan-1-amine (2S)-2-methyl-N-[(2S)-2-phenylpr…

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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) 3.53 10.51 -104.61 3 2 2 21 262.441 7 ↓
Mid Mid (pH 6-8) 3.53 8.32 -41.1 2 2 1 20 261.433 7 ↓

Analogs

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Popular Name: (2R)-2-methyl-N-[(2S)-2-phenylpropyl]-3-pyrrolidin-1-yl-propan-1-amine (2R)-2-methyl-N-[(2S)-2-phenylpr…

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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) 3.53 10.48 -110.17 3 2 2 21 262.441 7 ↓
Mid Mid (pH 6-8) 3.53 8.38 -38.63 2 2 1 20 261.433 7 ↓

Analogs

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Popular Name: (2S)-2-methyl-N-[(2R)-2-phenylpropyl]-3-pyrrolidin-1-yl-propan-1-amine (2S)-2-methyl-N-[(2R)-2-phenylpr…

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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) 3.53 10.5 -104.84 3 2 2 21 262.441 7 ↓
Mid Mid (pH 6-8) 3.53 8.32 -41.24 2 2 1 20 261.433 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-N-[(2R)-2-phenylpropyl]-3-pyrrolidin-1-yl-propan-1-amine (2R)-2-methyl-N-[(2R)-2-phenylpr…

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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) 3.53 10.5 -109.43 3 2 2 21 262.441 7 ↓
Mid Mid (pH 6-8) 3.53 8.4 -38.69 2 2 1 20 261.433 7 ↓

Analogs

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Popular Name: (1S)-1-(2-chlorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)ethanol (1S)-1-(2-chlorophenyl)-2-(3-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) 1.89 6.62 -102.81 4 3 2 41 284.831 7 ↓
Mid Mid (pH 6-8) 1.89 4.17 -39.36 3 3 1 40 283.823 7 ↓

Analogs

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Popular Name: (1R)-1-(2-chlorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)ethanol (1R)-1-(2-chlorophenyl)-2-(3-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) 1.89 6.67 -102.98 4 3 2 41 284.831 7 ↓
Mid Mid (pH 6-8) 1.89 4.22 -39.52 3 3 1 40 283.823 7 ↓

Analogs

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Popular Name: (1S)-1-(2,5-dichlorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)ethanol (1S)-1-(2,5-dichlorophenyl)-2-(3…

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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) 2.55 7.13 -104.89 4 3 2 41 319.276 7 ↓
Mid Mid (pH 6-8) 2.55 4.68 -40.74 3 3 1 40 318.268 7 ↓

Analogs

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Popular Name: (1R)-1-(2,5-dichlorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)ethanol (1R)-1-(2,5-dichlorophenyl)-2-(3…

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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) 2.55 7.18 -104.95 4 3 2 41 319.276 7 ↓
Mid Mid (pH 6-8) 2.55 4.73 -40.88 3 3 1 40 318.268 7 ↓

Analogs

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Popular Name: (1S)-1-(2,4-difluorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)ethanol (1S)-1-(2,4-difluorophenyl)-2-(3…

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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) 1.52 6.3 -108.49 4 3 2 41 286.366 7 ↓
Mid Mid (pH 6-8) 1.52 3.86 -44.11 3 3 1 40 285.358 7 ↓

Analogs

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Popular Name: (1R)-1-(2,4-difluorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)ethanol (1R)-1-(2,4-difluorophenyl)-2-(3…

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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) 1.52 6.36 -108.66 4 3 2 41 286.366 7 ↓
Mid Mid (pH 6-8) 1.52 3.91 -44.29 3 3 1 40 285.358 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-difluorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)ethanol (1S)-1-(2,5-difluorophenyl)-2-(3…

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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) 1.52 6.29 -106.08 4 3 2 41 286.366 7 ↓
Mid Mid (pH 6-8) 1.52 3.85 -42.05 3 3 1 40 285.358 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-difluorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)ethanol (1R)-1-(2,5-difluorophenyl)-2-(3…

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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) 1.52 6.36 -106.12 4 3 2 41 286.366 7 ↓
Mid Mid (pH 6-8) 1.52 3.91 -42.08 3 3 1 40 285.358 7 ↓

Analogs

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Popular Name: (1S)-1-(3-fluorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)ethanol (1S)-1-(3-fluorophenyl)-2-(3-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) 1.40 6.21 -109.74 4 3 2 41 268.376 7 ↓
Mid Mid (pH 6-8) 1.40 3.77 -45.12 3 3 1 40 267.368 7 ↓

Analogs

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Popular Name: (1R)-1-(3-fluorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)ethanol (1R)-1-(3-fluorophenyl)-2-(3-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) 1.40 6.29 -109.72 4 3 2 41 268.376 7 ↓
Mid Mid (pH 6-8) 1.40 3.84 -44.99 3 3 1 40 267.368 7 ↓

Analogs

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Popular Name: (1S)-1-(4-methoxyphenyl)-2-(3-pyrrolidin-1-ylpropylamino)ethanol (1S)-1-(4-methoxyphenyl)-2-(3-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) 1.32 5.43 -109.13 4 4 2 51 280.412 8 ↓
Mid Mid (pH 6-8) 1.32 3 -44.67 3 4 1 49 279.404 8 ↓

Analogs

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Popular Name: (1R)-1-(4-methoxyphenyl)-2-(3-pyrrolidin-1-ylpropylamino)ethanol (1R)-1-(4-methoxyphenyl)-2-(3-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) 1.32 5.52 -109.04 4 4 2 51 280.412 8 ↓
Mid Mid (pH 6-8) 1.32 3.08 -44.63 3 4 1 49 279.404 8 ↓

Analogs

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Popular Name: (1S)-1-(3,4-difluorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)ethanol (1S)-1-(3,4-difluorophenyl)-2-(3…

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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) 1.52 6.27 -116.17 4 3 2 41 286.366 7 ↓
Mid Mid (pH 6-8) 1.52 3.82 -50.62 3 3 1 40 285.358 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3,4-difluorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)ethanol (1R)-1-(3,4-difluorophenyl)-2-(3…

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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) 1.52 6.34 -116.16 4 3 2 41 286.366 7 ↓
Mid Mid (pH 6-8) 1.52 3.9 -50.57 3 3 1 40 285.358 7 ↓

Analogs

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Popular Name: (1S)-1-(2-methoxy-5-methyl-phenyl)-2-(3-pyrrolidin-1-ylpropylamino)ethanol (1S)-1-(2-methoxy-5-methyl-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) 1.70 6.23 -102.79 4 4 2 51 294.439 8 ↓
Mid Mid (pH 6-8) 1.70 3.78 -39.13 3 4 1 49 293.431 8 ↓

Analogs

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Popular Name: (1R)-1-(2-methoxy-5-methyl-phenyl)-2-(3-pyrrolidin-1-ylpropylamino)ethanol (1R)-1-(2-methoxy-5-methyl-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) 1.70 6.28 -102.98 4 4 2 51 294.439 8 ↓
Mid Mid (pH 6-8) 1.70 3.83 -39.2 3 4 1 49 293.431 8 ↓

Analogs

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Popular Name: (1S)-1-(4-isopropylphenyl)-2-(3-pyrrolidin-1-ylpropylamino)ethanol (1S)-1-(4-isopropylphenyl)-2-(3-…

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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 8.08 -105.85 4 3 2 41 292.467 8 ↓
Mid Mid (pH 6-8) 2.78 5.63 -41.62 3 3 1 40 291.459 8 ↓

Analogs

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Popular Name: (1R)-1-(4-isopropylphenyl)-2-(3-pyrrolidin-1-ylpropylamino)ethanol (1R)-1-(4-isopropylphenyl)-2-(3-…

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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 8.15 -105.72 4 3 2 41 292.467 8 ↓
Mid Mid (pH 6-8) 2.78 5.71 -41.55 3 3 1 40 291.459 8 ↓

Analogs

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Popular Name: (1S)-1-(2,6-difluorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)ethanol (1S)-1-(2,6-difluorophenyl)-2-(3…

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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 6.35 -99.82 4 3 2 41 286.366 7 ↓
Mid Mid (pH 6-8) 1.50 3.9 -37.07 3 3 1 40 285.358 7 ↓

Analogs

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Popular Name: (1R)-1-(2,6-difluorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)ethanol (1R)-1-(2,6-difluorophenyl)-2-(3…

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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 6.38 -99.73 4 3 2 41 286.366 7 ↓
Mid Mid (pH 6-8) 1.50 3.93 -36.99 3 3 1 40 285.358 7 ↓

Analogs

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Popular Name: (2S)-1-[[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]-3-pyrrolidin-1-yl-propan-2-ol (2S)-1-[[(1S)-2-(4-fluorophenyl)…

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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) 2.18 6.76 -105.23 4 3 2 41 282.403 7 ↓
Mid Mid (pH 6-8) 2.18 7.29 -45.02 3 3 1 44 281.395 7 ↓
Mid Mid (pH 6-8) 2.18 4.22 -42.21 3 3 1 40 281.395 7 ↓

Analogs

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Popular Name: (2S)-1-[[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]-3-pyrrolidin-1-yl-propan-2-ol (2S)-1-[[(1R)-2-(4-fluorophenyl)…

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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) 2.18 6.76 -104.73 4 3 2 41 282.403 7 ↓
Mid Mid (pH 6-8) 2.18 7.29 -41.53 3 3 1 44 281.395 7 ↓
Mid Mid (pH 6-8) 2.18 4.22 -41.88 3 3 1 40 281.395 7 ↓

Analogs

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Popular Name: (2R)-1-[[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]-3-pyrrolidin-1-yl-propan-2-ol (2R)-1-[[(1S)-2-(4-fluorophenyl)…

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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) 2.18 7.03 -105.46 4 3 2 41 282.403 7 ↓
Mid Mid (pH 6-8) 2.18 7.53 -40.47 3 3 1 44 281.395 7 ↓
Mid Mid (pH 6-8) 2.18 4.5 -42.13 3 3 1 40 281.395 7 ↓

Analogs

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Popular Name: (2R)-1-[[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]-3-pyrrolidin-1-yl-propan-2-ol (2R)-1-[[(1R)-2-(4-fluorophenyl)…

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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) 2.18 7.03 -105.77 4 3 2 41 282.403 7 ↓
Mid Mid (pH 6-8) 2.18 4.49 -42.03 3 3 1 40 281.395 7 ↓
Mid Mid (pH 6-8) 2.18 7.53 -43.93 3 3 1 44 281.395 7 ↓

Analogs

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Popular Name: (1S)-1-(3-bromophenyl)-2-(3-pyrrolidin-1-ylpropylamino)ethanol (1S)-1-(3-bromophenyl)-2-(3-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) 2.05 6.76 -108.64 4 3 2 41 329.282 7 ↓
Mid Mid (pH 6-8) 2.05 4.31 -44.11 3 3 1 40 328.274 7 ↓

Analogs

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Popular Name: (1R)-1-(3-bromophenyl)-2-(3-pyrrolidin-1-ylpropylamino)ethanol (1R)-1-(3-bromophenyl)-2-(3-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) 2.05 6.84 -108.6 4 3 2 41 329.282 7 ↓
Mid Mid (pH 6-8) 2.05 4.39 -44.05 3 3 1 40 328.274 7 ↓

Analogs

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Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrrolidin-1-yl-propan-1-amine N-[2-(3,4-dimethoxyphenyl)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) 1.90 8.46 -114.03 3 4 2 40 294.439 9 ↓
Hi High (pH 8-9.5) 1.90 7.12 -37.92 2 4 1 35 293.431 9 ↓
Mid Mid (pH 6-8) 1.90 6.01 -48.79 2 4 1 38 293.431 9 ↓

Analogs

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Popular Name: (2S)-1-(2-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)propan-2-amine (2S)-1-(2-methoxyphenyl)-N-(3-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) 2.94 9.16 -99.31 3 3 2 30 278.44 8 ↓
Hi High (pH 8-9.5) 2.94 8 -33.19 2 3 1 26 277.432 8 ↓
Mid Mid (pH 6-8) 2.94 6.72 -35.71 2 3 1 29 277.432 8 ↓

Analogs

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Popular Name: (2R)-1-(2-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)propan-2-amine (2R)-1-(2-methoxyphenyl)-N-(3-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) 2.94 9.68 -94.62 3 3 2 30 278.44 8 ↓
Hi High (pH 8-9.5) 2.94 8.83 -32.96 2 3 1 26 277.432 8 ↓
Mid Mid (pH 6-8) 2.94 7.24 -31.42 2 3 1 29 277.432 8 ↓

Analogs

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Popular Name: N-[2-(4-fluorophenyl)ethyl]-3-pyrrolidin-1-yl-propan-1-amine N-[2-(4-fluorophenyl)ethyl]-3-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) 2.42 9.33 -111.78 3 2 2 21 252.377 7 ↓
Hi High (pH 8-9.5) 2.42 7.99 -34.87 2 2 1 16 251.369 7 ↓
Mid Mid (pH 6-8) 2.42 6.88 -46.58 2 2 1 20 251.369 7 ↓

Analogs

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Popular Name: N-[2-(2-fluorophenyl)ethyl]-3-pyrrolidin-1-yl-propan-1-amine N-[2-(2-fluorophenyl)ethyl]-3-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) 2.37 9.3 -104.05 3 2 2 21 252.377 7 ↓
Hi High (pH 8-9.5) 2.37 7.96 -33.94 2 2 1 16 251.369 7 ↓
Mid Mid (pH 6-8) 2.37 6.85 -40.47 2 2 1 20 251.369 7 ↓

Analogs

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Popular Name: N-[2-(2,4-dichlorophenyl)ethyl]-3-pyrrolidin-1-yl-propan-1-amine N-[2-(2,4-dichlorophenyl)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) 3.54 10.14 -107.72 3 2 2 21 303.277 7 ↓
Hi High (pH 8-9.5) 3.54 8.79 -33.22 2 2 1 16 302.269 7 ↓
Mid Mid (pH 6-8) 3.54 7.69 -43.18 2 2 1 20 302.269 7 ↓

Analogs

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Popular Name: N-[2-(3-fluorophenyl)ethyl]-3-pyrrolidin-1-yl-propan-1-amine N-[2-(3-fluorophenyl)ethyl]-3-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) 2.39 9.33 -110.09 3 2 2 21 252.377 7 ↓
Hi High (pH 8-9.5) 2.39 7.99 -34.34 2 2 1 16 251.369 7 ↓
Mid Mid (pH 6-8) 2.39 6.88 -45.35 2 2 1 20 251.369 7 ↓

Analogs

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Popular Name: 2-methyl-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine 2-methyl-2-phenyl-N-(3-pyrrolidi…

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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) 3.23 10.19 -108.73 3 2 2 21 262.441 7 ↓
Hi High (pH 8-9.5) 3.23 9.04 -33.35 2 2 1 16 261.433 7 ↓
Mid Mid (pH 6-8) 3.23 7.74 -41.66 2 2 1 20 261.433 7 ↓

Analogs

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Popular Name: N-[2-(4-nitrophenyl)ethyl]-3-pyrrolidin-1-yl-propan-1-amine N-[2-(4-nitrophenyl)ethyl]-3-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) 2.21 9.98 -123.46 3 5 2 67 279.384 8 ↓
Hi High (pH 8-9.5) 2.21 8.64 -40.09 2 5 1 62 278.376 8 ↓
Mid Mid (pH 6-8) 2.21 7.53 -56.49 2 5 1 66 278.376 8 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenyl)ethyl]-3-pyrrolidin-1-yl-propan-1-amine N-[2-(4-chlorophenyl)ethyl]-3-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) 2.93 9.78 -110.45 3 2 2 21 268.832 7 ↓
Hi High (pH 8-9.5) 2.93 8.45 -34.03 2 2 1 16 267.824 7 ↓
Mid Mid (pH 6-8) 2.93 7.34 -45.42 2 2 1 20 267.824 7 ↓

Parameters Provided:

ring.id = 25610
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 = 25610 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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