UCSF
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Analogs

42374998
42374998
42374999
42374999

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Popular Name: N-[[(2S)-1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]ethanamine N-[[(2S)-1-(cyclopentylmethyl)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) 2.33 8.18 -111.37 3 2 2 21 212.381 5 ↓
Mid Mid (pH 6-8) 2.33 6.91 -28 2 2 1 16 211.373 5 ↓
Mid Mid (pH 6-8) 2.33 6.5 -34.14 2 2 1 20 211.373 5 ↓

Analogs

42374998
42374998
42374999
42374999

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]ethanamine N-[[(2R)-1-(cyclopentylmethyl)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) 2.33 7.91 -112.18 3 2 2 21 212.381 5 ↓
Mid Mid (pH 6-8) 2.33 6.55 -29.86 2 2 1 16 211.373 5 ↓
Mid Mid (pH 6-8) 2.33 6.07 -33.69 2 2 1 20 211.373 5 ↓

Analogs

42374998
42374998
42374999
42374999

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Popular Name: N-[[(2S)-1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]propan-1-amine N-[[(2S)-1-(cyclopentylmethyl)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) 2.83 8.01 -111.47 3 2 2 21 226.408 6 ↓
Mid Mid (pH 6-8) 2.83 7.91 -29 2 2 1 16 225.4 6 ↓
Mid Mid (pH 6-8) 2.83 5.78 -38.41 2 2 1 20 225.4 6 ↓

Analogs

42374998
42374998
42374999
42374999

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]propan-1-amine N-[[(2R)-1-(cyclopentylmethyl)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) 2.83 8.66 -114.77 3 2 2 21 226.408 6 ↓
Mid Mid (pH 6-8) 2.83 7.31 -30.17 2 2 1 16 225.4 6 ↓
Mid Mid (pH 6-8) 2.83 6.83 -34.5 2 2 1 20 225.4 6 ↓

Analogs

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Popular Name: N-[[(2S)-1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine N-[[(2S)-1-(cyclopentylmethyl)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) 2.97 8.72 -110.26 3 2 2 21 226.408 5 ↓
Hi High (pH 8-9.5) 2.97 7.59 -28.19 2 2 1 16 225.4 5 ↓
Mid Mid (pH 6-8) 2.97 7.02 -32.66 2 2 1 20 225.4 5 ↓

Analogs

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Popular Name: N-[[(2R)-1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine N-[[(2R)-1-(cyclopentylmethyl)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) 2.97 8.07 -108.34 3 2 2 21 226.408 5 ↓
Hi High (pH 8-9.5) 2.97 6.93 -31.53 2 2 1 16 225.4 5 ↓
Mid Mid (pH 6-8) 2.97 5.83 -36.15 2 2 1 20 225.4 5 ↓

Analogs

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Popular Name: (1S,2S)-2-[[(3R)-3-methylpyrrolidin-1-yl]methyl]cyclopentanol (1S,2S)-2-[[(3R)-3-methylpyrroli…

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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) 1.85 4.72 -29.86 2 2 1 25 184.303 2 ↓

Analogs

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Popular Name: (1S,2S)-2-[[(3S)-3-methylpyrrolidin-1-yl]methyl]cyclopentanol (1S,2S)-2-[[(3S)-3-methylpyrroli…

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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) 1.85 4.69 -29.71 2 2 1 25 184.303 2 ↓

Analogs

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Popular Name: (1R,2R)-2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopentanol (1R,2R)-2-[[(2R)-2-(hydroxymethy…

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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 1.51 -27.89 3 3 1 45 200.302 3 ↓

Analogs

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Popular Name: (1R,2S)-2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopentanol (1R,2S)-2-[[(2R)-2-(hydroxymethy…

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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 1.25 -30.38 3 3 1 45 200.302 3 ↓

Analogs

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Popular Name: (1S,2R)-2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopentanol (1S,2R)-2-[[(2R)-2-(hydroxymethy…

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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 1.32 -30.46 3 3 1 45 200.302 3 ↓

Analogs

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Popular Name: (1S,2S)-2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopentanol (1S,2S)-2-[[(2R)-2-(hydroxymethy…

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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 1.43 -28.46 3 3 1 45 200.302 3 ↓

Analogs

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Popular Name: (1R,2R)-2-[[(2R)-2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]cyclopentanol (1R,2R)-2-[[(2R)-2-(3-hydroxypro…

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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) 1.27 2.97 -30.54 3 3 1 45 228.356 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[[(2R)-2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]cyclopentanol (1R,2S)-2-[[(2R)-2-(3-hydroxypro…

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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) 1.27 2.32 -35.27 3 3 1 45 228.356 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(2R)-2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]cyclopentanol (1S,2R)-2-[[(2R)-2-(3-hydroxypro…

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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) 1.27 2.79 -32.06 3 3 1 45 228.356 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(2R)-2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]cyclopentanol (1S,2S)-2-[[(2R)-2-(3-hydroxypro…

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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) 1.27 2.74 -30.91 3 3 1 45 228.356 5 ↓

Analogs

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Popular Name: (3S)-1-(cyclopentylmethyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(cyclopentylmethyl)-3-met…

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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 8.27 -46.7 1 3 0 45 211.305 3 ↓

Analogs

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Popular Name: (3R)-1-(cyclopentylmethyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(cyclopentylmethyl)-3-met…

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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 8.27 -47.38 1 3 0 45 211.305 3 ↓

Analogs

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Popular Name: (3S)-1-(cyclopentylmethyl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(cyclopentylmethyl)-3-eth…

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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) 2.45 8.79 -43.27 1 3 0 45 225.332 4 ↓

Analogs

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Popular Name: (3R)-1-(cyclopentylmethyl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(cyclopentylmethyl)-3-eth…

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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) 2.45 8.74 -46.32 1 3 0 45 225.332 4 ↓

Analogs

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Popular Name: (3S)-1-(cyclopentylmethyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(cyclopentylmethyl)-3-pro…

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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) 3.01 9.58 -43.96 1 3 0 45 239.359 5 ↓

Analogs

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Popular Name: (3R)-1-(cyclopentylmethyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(cyclopentylmethyl)-3-pro…

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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) 3.01 9.48 -44.49 1 3 0 45 239.359 5 ↓

Analogs

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Popular Name: (3R)-1-[(1R)-2-amino-1-cyclopentyl-ethyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[(1R)-2-amino-1-cyclopent…

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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 3.97 -93.98 4 3 2 35 227.396 4 ↓
Hi High (pH 8-9.5) 1.07 1.56 -43.65 3 3 1 34 226.388 4 ↓

Analogs

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Popular Name: (3S)-1-[(1R)-2-amino-1-cyclopentyl-ethyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(1R)-2-amino-1-cyclopent…

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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 3.66 -108.58 4 3 2 35 227.396 4 ↓
Hi High (pH 8-9.5) 1.07 1.29 -43.26 3 3 1 34 226.388 4 ↓

Analogs

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Popular Name: 1-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclopentanecarbaldehyde 1-[[(3R)-3-(dimethylamino)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) 1.80 5.6 -36.82 1 3 1 25 225.356 4 ↓
Hi High (pH 8-9.5) 1.80 3.15 -3.98 0 3 0 24 224.348 4 ↓
Lo Low (pH 4.5-6) 1.80 7.71 -111.47 2 3 2 26 226.364 4 ↓

Analogs

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Popular Name: 1-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclopentanecarbaldehyde 1-[[(3S)-3-(dimethylamino)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) 1.80 5.74 -39.14 1 3 1 25 225.356 4 ↓
Hi High (pH 8-9.5) 1.80 3.36 -4.24 0 3 0 24 224.348 4 ↓
Lo Low (pH 4.5-6) 1.80 7.7 -117.3 2 3 2 26 226.364 4 ↓

Analogs

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Popular Name: 1-[[(3R)-3-(diethylamino)pyrrolidin-1-yl]methyl]cyclopentanecarbaldehyde 1-[[(3R)-3-(diethylamino)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) 2.55 6.64 -35.32 1 3 1 25 253.41 6 ↓
Hi High (pH 8-9.5) 2.55 4.55 -3.4 0 3 0 24 252.402 6 ↓
Lo Low (pH 4.5-6) 2.55 8.75 -111.81 2 3 2 26 254.418 6 ↓

Analogs

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Popular Name: 1-[[(3S)-3-(diethylamino)pyrrolidin-1-yl]methyl]cyclopentanecarbaldehyde 1-[[(3S)-3-(diethylamino)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) 2.55 6.69 -36.46 1 3 1 25 253.41 6 ↓
Hi High (pH 8-9.5) 2.55 4.58 -4.49 0 3 0 24 252.402 6 ↓
Lo Low (pH 4.5-6) 2.55 8.81 -110.84 2 3 2 26 254.418 6 ↓

Analogs

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Popular Name: (3S)-N,N-dimethyl-1-[[1-(methylaminomethyl)cyclopentyl]methyl]pyrrolidin-3-amine (3S)-N,N-dimethyl-1-[[1-(methyla…

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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) 1.76 6.15 -83.86 3 3 2 24 241.423 5 ↓
Hi High (pH 8-9.5) 1.76 3.76 -35.01 2 3 1 23 240.415 5 ↓
Lo Low (pH 4.5-6) 1.76 8.25 -193 4 3 3 25 242.431 5 ↓

Analogs

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Popular Name: (3R)-N,N-dimethyl-1-[[1-(methylaminomethyl)cyclopentyl]methyl]pyrrolidin-3-amine (3R)-N,N-dimethyl-1-[[1-(methyla…

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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) 1.76 6.14 -81.49 3 3 2 24 241.423 5 ↓
Hi High (pH 8-9.5) 1.76 3.76 -35.46 2 3 1 23 240.415 5 ↓
Lo Low (pH 4.5-6) 1.76 8.26 -189.96 4 3 3 25 242.431 5 ↓

Analogs

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Popular Name: (3S)-1-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[[1-(ethylaminomethyl)cyc…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.78 7.02 -83.46 3 3 2 24 255.45 6 ↓
Hi High (pH 8-9.5) 1.78 4.63 -33.75 2 3 1 23 254.442 6 ↓
Lo Low (pH 4.5-6) 1.78 9.11 -195.1 4 3 3 25 256.458 6 ↓

Analogs

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Popular Name: (3R)-1-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[[1-(ethylaminomethyl)cyc…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.78 7.08 -82.07 3 3 2 24 255.45 6 ↓
Hi High (pH 8-9.5) 1.78 4.7 -34.42 2 3 1 23 254.442 6 ↓
Lo Low (pH 4.5-6) 1.78 8.92 -192.55 4 3 3 25 256.458 6 ↓

Analogs

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Popular Name: (3S)-N,N-dimethyl-1-[[1-(propylaminomethyl)cyclopentyl]methyl]pyrrolidin-3-amine (3S)-N,N-dimethyl-1-[[1-(propyla…

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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) 2.29 7.85 -85.79 3 3 2 24 269.477 7 ↓
Hi High (pH 8-9.5) 2.29 5.46 -34.58 2 3 1 23 268.469 7 ↓
Lo Low (pH 4.5-6) 2.29 9.65 -198.17 4 3 3 25 270.485 7 ↓

Analogs

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Popular Name: (3R)-N,N-dimethyl-1-[[1-(propylaminomethyl)cyclopentyl]methyl]pyrrolidin-3-amine (3R)-N,N-dimethyl-1-[[1-(propyla…

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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) 2.29 7.83 -83.27 3 3 2 24 269.477 7 ↓
Hi High (pH 8-9.5) 2.29 5.45 -35.3 2 3 1 23 268.469 7 ↓
Lo Low (pH 4.5-6) 2.29 9.68 -194.87 4 3 3 25 270.485 7 ↓

Analogs

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Popular Name: (3S)-1-[[1-[(isopropylamino)methyl]cyclopentyl]methyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[[1-[(isopropylamino)meth…

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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) 2.43 7.74 -82.78 3 3 2 24 269.477 6 ↓
Hi High (pH 8-9.5) 2.43 5.35 -31.87 2 3 1 23 268.469 6 ↓
Lo Low (pH 4.5-6) 2.43 9.62 -194.29 4 3 3 25 270.485 6 ↓

Analogs

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Popular Name: (3R)-1-[[1-[(isopropylamino)methyl]cyclopentyl]methyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[[1-[(isopropylamino)meth…

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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) 2.43 7.54 -80.86 3 3 2 24 269.477 6 ↓
Hi High (pH 8-9.5) 2.43 5.14 -33.03 2 3 1 23 268.469 6 ↓
Lo Low (pH 4.5-6) 2.43 9.46 -191.83 4 3 3 25 270.485 6 ↓

Analogs

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Popular Name: (3S)-1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[[1-[(tert-butylamino)met…

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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 7.98 -82.07 3 3 2 24 283.504 6 ↓
Hi High (pH 8-9.5) 2.94 5.59 -31.07 2 3 1 23 282.496 6 ↓
Lo Low (pH 4.5-6) 2.94 9.84 -194.72 4 3 3 25 284.512 6 ↓

Analogs

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Popular Name: (3R)-1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[[1-[(tert-butylamino)met…

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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 8.15 -79.1 3 3 2 24 283.504 6 ↓
Hi High (pH 8-9.5) 2.94 5.77 -30.98 2 3 1 23 282.496 6 ↓
Lo Low (pH 4.5-6) 2.94 10.04 -190.88 4 3 3 25 284.512 6 ↓

Analogs

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Popular Name: (3S)-1-[[1-[(isobutylamino)methyl]cyclopentyl]methyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[[1-[(isobutylamino)methy…

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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) 2.53 8.69 -85.53 3 3 2 24 283.504 7 ↓
Hi High (pH 8-9.5) 2.53 6.3 -33.64 2 3 1 23 282.496 7 ↓
Lo Low (pH 4.5-6) 2.53 10.56 -198.75 4 3 3 25 284.512 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[1-[(isobutylamino)methyl]cyclopentyl]methyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[[1-[(isobutylamino)methy…

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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) 2.53 8.46 -83.48 3 3 2 24 283.504 7 ↓
Hi High (pH 8-9.5) 2.53 6.07 -34.88 2 3 1 23 282.496 7 ↓
Lo Low (pH 4.5-6) 2.53 10.37 -196.23 4 3 3 25 284.512 7 ↓

Analogs

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Popular Name: (3R)-1-[[1-(aminomethyl)cyclopentyl]methyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[[1-(aminomethyl)cyclopen…

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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) 0.78 4.27 -89.19 4 3 2 35 227.396 4 ↓
Hi High (pH 8-9.5) 0.78 1.82 -39.98 3 3 1 34 226.388 4 ↓
Lo Low (pH 4.5-6) 0.78 6.24 -197.66 5 3 3 37 228.404 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[1-(aminomethyl)cyclopentyl]methyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[[1-(aminomethyl)cyclopen…

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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) 0.78 4.42 -87.08 4 3 2 35 227.396 4 ↓
Hi High (pH 8-9.5) 0.78 2.02 -40.19 3 3 1 34 226.388 4 ↓
Lo Low (pH 4.5-6) 0.78 6.21 -195.57 5 3 3 37 228.404 4 ↓

Analogs

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Popular Name: (3S)-1-[[(1R,2R)-2-(ethylamino)cyclopentyl]methyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[[(1R,2R)-2-(ethylamino)c…

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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) 1.92 6.25 -83.82 3 3 2 24 241.423 5 ↓
Hi High (pH 8-9.5) 1.92 3.85 -36.62 2 3 1 23 240.415 5 ↓
Lo Low (pH 4.5-6) 1.92 8.61 -195.19 4 3 3 25 242.431 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(1R,2S)-2-(ethylamino)cyclopentyl]methyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[[(1R,2S)-2-(ethylamino)c…

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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) 1.92 5.87 -80.63 3 3 2 24 241.423 5 ↓
Hi High (pH 8-9.5) 1.92 3.48 -36.64 2 3 1 23 240.415 5 ↓
Lo Low (pH 4.5-6) 1.92 8.23 -187.03 4 3 3 25 242.431 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(1S,2R)-2-(ethylamino)cyclopentyl]methyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[[(1S,2R)-2-(ethylamino)c…

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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) 1.92 6.64 -86.58 3 3 2 24 241.423 5 ↓
Hi High (pH 8-9.5) 1.92 4.24 -30.56 2 3 1 23 240.415 5 ↓
Lo Low (pH 4.5-6) 1.92 8.55 -201.87 4 3 3 25 242.431 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(1S,2S)-2-(ethylamino)cyclopentyl]methyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[[(1S,2S)-2-(ethylamino)c…

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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) 1.92 5.84 -83.68 3 3 2 24 241.423 5 ↓
Hi High (pH 8-9.5) 1.92 3.45 -35.98 2 3 1 23 240.415 5 ↓
Lo Low (pH 4.5-6) 1.92 8.29 -195.79 4 3 3 25 242.431 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N,N-dimethyl-1-[[(1R,2R)-2-(propylamino)cyclopentyl]methyl]pyrrolidin-3-amine (3S)-N,N-dimethyl-1-[[(1R,2R)-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) 2.42 7.01 -85.21 3 3 2 24 255.45 6 ↓
Hi High (pH 8-9.5) 2.42 4.62 -37.38 2 3 1 23 254.442 6 ↓
Lo Low (pH 4.5-6) 2.42 9.37 -198.2 4 3 3 25 256.458 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N,N-dimethyl-1-[[(1R,2S)-2-(propylamino)cyclopentyl]methyl]pyrrolidin-3-amine (3S)-N,N-dimethyl-1-[[(1R,2S)-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) 2.42 6.62 -81.79 3 3 2 24 255.45 6 ↓
Hi High (pH 8-9.5) 2.42 4.23 -37.45 2 3 1 23 254.442 6 ↓
Lo Low (pH 4.5-6) 2.42 8.98 -189.36 4 3 3 25 256.458 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N,N-dimethyl-1-[[(1S,2R)-2-(propylamino)cyclopentyl]methyl]pyrrolidin-3-amine (3S)-N,N-dimethyl-1-[[(1S,2R)-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) 2.42 6.54 -85.86 3 3 2 24 255.45 6 ↓
Hi High (pH 8-9.5) 2.42 4.14 -36.85 2 3 1 23 254.442 6 ↓
Lo Low (pH 4.5-6) 2.42 8.99 -194.06 4 3 3 25 256.458 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N,N-dimethyl-1-[[(1S,2S)-2-(propylamino)cyclopentyl]methyl]pyrrolidin-3-amine (3S)-N,N-dimethyl-1-[[(1S,2S)-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) 2.42 6.94 -88.49 3 3 2 24 255.45 6 ↓
Hi High (pH 8-9.5) 2.42 4.54 -36.5 2 3 1 23 254.442 6 ↓
Lo Low (pH 4.5-6) 2.42 9.36 -199.96 4 3 3 25 256.458 6 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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