UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

32026743
32026743
19946701
19946701
35765353
35765353

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-cyclopentyl-N-methyl-1-(2-pyridyl)ethane-1,2-diamine (1S)-N-cyclopentyl-N-methyl-1-(2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.96 5.59 -25.47 3 3 1 43 220.34 4 ↓
Hi High (pH 8-9.5) 0.96 3.64 -2.77 2 3 0 42 219.332 4 ↓
Mid Mid (pH 6-8) 0.96 3.97 -43.12 3 3 1 44 220.34 4 ↓

Analogs

32026743
32026743
19946701
19946701
35765353
35765353

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-cyclopentyl-N-methyl-1-(2-pyridyl)ethane-1,2-diamine (1R)-N-cyclopentyl-N-methyl-1-(2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.96 5.68 -26.49 3 3 1 43 220.34 4 ↓
Hi High (pH 8-9.5) 0.96 3.45 -4.19 2 3 0 42 219.332 4 ↓
Mid Mid (pH 6-8) 0.96 3.74 -37.99 3 3 1 44 220.34 4 ↓

Analogs

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Popular Name: (1S,2R)-2-(2-pyridylmethylamino)cyclopentanecarbonitrile (1S,2R)-2-(2-pyridylmethylamino)…

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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) 1.38 4.55 -9.65 1 3 0 49 201.273 3 ↓
Lo Low (pH 4.5-6) 1.38 4.95 -32.09 2 3 1 50 202.281 3 ↓
Lo Low (pH 4.5-6) 1.38 5.74 -41.65 2 3 1 53 202.281 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(2-pyridylmethylamino)cyclopentanecarbonitrile (1S,2S)-2-(2-pyridylmethylamino)…

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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) 1.38 4.35 -10.07 1 3 0 49 201.273 3 ↓
Lo Low (pH 4.5-6) 1.38 5.52 -47.29 2 3 1 53 202.281 3 ↓
Lo Low (pH 4.5-6) 1.38 4.76 -37.17 2 3 1 50 202.281 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(2-pyridylmethylamino)cyclopentanecarbonitrile (1R,2R)-2-(2-pyridylmethylamino)…

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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) 1.38 4.36 -7.36 1 3 0 49 201.273 3 ↓
Lo Low (pH 4.5-6) 1.38 5.58 -46.56 2 3 1 53 202.281 3 ↓
Lo Low (pH 4.5-6) 1.38 4.77 -35.84 2 3 1 50 202.281 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(2-pyridylmethylamino)cyclopentanecarbonitrile (1R,2S)-2-(2-pyridylmethylamino)…

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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) 1.38 4.73 -9.61 1 3 0 49 201.273 3 ↓
Lo Low (pH 4.5-6) 1.38 5.69 -41.26 2 3 1 53 202.281 3 ↓
Lo Low (pH 4.5-6) 1.38 5.14 -33.99 2 3 1 50 202.281 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1S)-1-(2-pyridyl)ethyl]amino]cyclopentanecarbonitrile (1S,2R)-2-[[(1S)-1-(2-pyridyl)et…

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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) 1.94 5.35 -10.16 1 3 0 49 215.3 3 ↓
Lo Low (pH 4.5-6) 1.94 5.71 -33 2 3 1 50 216.308 3 ↓
Lo Low (pH 4.5-6) 1.94 6.6 -33.57 2 3 1 53 216.308 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1R)-1-(2-pyridyl)ethyl]amino]cyclopentanecarbonitrile (1S,2R)-2-[[(1R)-1-(2-pyridyl)et…

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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) 1.94 5.46 -10.44 1 3 0 49 215.3 3 ↓
Lo Low (pH 4.5-6) 1.94 5.86 -32.86 2 3 1 50 216.308 3 ↓
Lo Low (pH 4.5-6) 1.94 6.47 -37.61 2 3 1 53 216.308 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1S)-1-(2-pyridyl)ethyl]amino]cyclopentanecarbonitrile (1S,2S)-2-[[(1S)-1-(2-pyridyl)et…

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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) 1.94 5.28 -7.6 1 3 0 49 215.3 3 ↓
Lo Low (pH 4.5-6) 1.94 5.63 -37.13 2 3 1 50 216.308 3 ↓
Lo Low (pH 4.5-6) 1.94 6.29 -41.44 2 3 1 53 216.308 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1R)-1-(2-pyridyl)ethyl]amino]cyclopentanecarbonitrile (1S,2S)-2-[[(1R)-1-(2-pyridyl)et…

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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) 1.94 5.12 -8.05 1 3 0 49 215.3 3 ↓
Lo Low (pH 4.5-6) 1.94 6.4 -44.37 2 3 1 53 216.308 3 ↓
Lo Low (pH 4.5-6) 1.94 5.51 -34.47 2 3 1 50 216.308 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(6-methyl-2-pyridyl)methylamino]cyclopentanecarbonitrile (1S,2R)-2-[(6-methyl-2-pyridyl)m…

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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) 1.43 5.16 -9.92 1 3 0 49 215.3 3 ↓
Mid Mid (pH 6-8) 1.43 5.53 -29.67 2 3 1 50 216.308 3 ↓
Lo Low (pH 4.5-6) 1.43 6.35 -41.81 2 3 1 53 216.308 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(6-methyl-2-pyridyl)methylamino]cyclopentanecarbonitrile (1S,2S)-2-[(6-methyl-2-pyridyl)m…

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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) 1.43 4.97 -10.26 1 3 0 49 215.3 3 ↓
Mid Mid (pH 6-8) 1.43 5.34 -32.66 2 3 1 50 216.308 3 ↓
Lo Low (pH 4.5-6) 1.43 6.13 -47.48 2 3 1 53 216.308 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[(6-methyl-2-pyridyl)methylamino]cyclopentanecarbonitrile (1R,2R)-2-[(6-methyl-2-pyridyl)m…

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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) 1.43 4.97 -7.49 1 3 0 49 215.3 3 ↓
Mid Mid (pH 6-8) 1.43 5.35 -33.3 2 3 1 50 216.308 3 ↓
Lo Low (pH 4.5-6) 1.43 6.19 -46.65 2 3 1 53 216.308 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[(6-methyl-2-pyridyl)methylamino]cyclopentanecarbonitrile (1R,2S)-2-[(6-methyl-2-pyridyl)m…

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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) 1.43 5.35 -9.78 1 3 0 49 215.3 3 ↓
Mid Mid (pH 6-8) 1.43 5.72 -31.35 2 3 1 50 216.308 3 ↓
Lo Low (pH 4.5-6) 1.43 6.3 -41.47 2 3 1 53 216.308 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopentyl-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]amino]acetamide 2-[cyclopentyl-[(4-methoxy-3,5-d…

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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 3.67 -38.31 3 5 1 70 292.403 6 ↓
Hi High (pH 8-9.5) 1.90 2.08 -13.44 2 5 0 68 291.395 6 ↓
Mid Mid (pH 6-8) 1.90 4.05 -37.03 3 5 1 70 292.403 6 ↓

Analogs

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Popular Name: N-[(5-bromo-2-pyridyl)methyl]-1-methyl-cyclopentanamine N-[(5-bromo-2-pyridyl)methyl]-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) 3.15 6.3 -36.73 2 2 1 29 270.194 3 ↓
Hi High (pH 8-9.5) 3.15 5.1 -2.29 1 2 0 25 269.186 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-[(5-bromo-2-pyridyl)methyl]-2-methoxy-cyclopentanamine (1S,2R)-N-[(5-bromo-2-pyridyl)me…

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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 5.44 -36.2 2 3 1 39 286.193 4 ↓
Mid Mid (pH 6-8) 2.17 4.24 -3.73 1 3 0 34 285.185 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(5-bromo-2-pyridyl)methyl]-2-methoxy-cyclopentanamine (1S,2S)-N-[(5-bromo-2-pyridyl)me…

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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 4.97 -40.69 2 3 1 39 286.193 4 ↓
Mid Mid (pH 6-8) 2.17 3.75 -3.57 1 3 0 34 285.185 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-[(5-bromo-2-pyridyl)methyl]-2-methoxy-cyclopentanamine (1R,2R)-N-[(5-bromo-2-pyridyl)me…

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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 4.91 -39.54 2 3 1 39 286.193 4 ↓
Mid Mid (pH 6-8) 2.17 3.77 -3.05 1 3 0 34 285.185 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[(5-bromo-2-pyridyl)methyl]-2-methoxy-cyclopentanamine (1R,2S)-N-[(5-bromo-2-pyridyl)me…

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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 5.44 -37.13 2 3 1 39 286.193 4 ↓
Mid Mid (pH 6-8) 2.17 4.3 -3.66 1 3 0 34 285.185 4 ↓

Analogs

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Popular Name: [1-[(5-bromo-2-pyridyl)methylamino]cyclopentyl]methanol [1-[(5-bromo-2-pyridyl)methylami…

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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) 2.14 3.07 -35.91 3 3 1 50 286.193 4 ↓
Hi High (pH 8-9.5) 2.14 1.83 -5.94 2 3 0 45 285.185 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(5-bromo-2-pyridyl)methylamino]cyclopentanecarbonitrile (1S,2R)-2-[(5-bromo-2-pyridyl)me…

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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) 2.36 5.14 -8.99 1 3 0 49 280.169 3 ↓
Lo Low (pH 4.5-6) 2.36 6.33 -45.62 2 3 1 53 281.177 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(5-bromo-2-pyridyl)methylamino]cyclopentanecarbonitrile (1S,2S)-2-[(5-bromo-2-pyridyl)me…

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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) 2.36 4.95 -9.72 1 3 0 49 280.169 3 ↓
Lo Low (pH 4.5-6) 2.36 6.12 -51.65 2 3 1 53 281.177 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[(5-bromo-2-pyridyl)methylamino]cyclopentanecarbonitrile (1R,2R)-2-[(5-bromo-2-pyridyl)me…

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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) 2.36 4.95 -6.77 1 3 0 49 280.169 3 ↓
Lo Low (pH 4.5-6) 2.36 6.18 -50.78 2 3 1 53 281.177 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[(5-bromo-2-pyridyl)methylamino]cyclopentanecarbonitrile (1R,2S)-2-[(5-bromo-2-pyridyl)me…

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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) 2.36 5.33 -9.16 1 3 0 49 280.169 3 ↓
Lo Low (pH 4.5-6) 2.36 6.29 -45.16 2 3 1 53 281.177 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-[(5-bromo-2-pyridyl)methyl]-2-methyl-cyclopentanamine (1S,2R)-N-[(5-bromo-2-pyridyl)me…

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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) 2.95 6.88 -37.94 2 2 1 29 270.194 3 ↓
Hi High (pH 8-9.5) 2.95 5.82 -2.22 1 2 0 25 269.186 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(5-bromo-2-pyridyl)methyl]-2-methyl-cyclopentanamine (1S,2S)-N-[(5-bromo-2-pyridyl)me…

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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) 2.95 6.54 -38.93 2 2 1 29 270.194 3 ↓
Hi High (pH 8-9.5) 2.95 5.32 -2.22 1 2 0 25 269.186 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-[(5-bromo-2-pyridyl)methyl]-2-methyl-cyclopentanamine (1R,2R)-N-[(5-bromo-2-pyridyl)me…

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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) 2.95 6.48 -39.13 2 2 1 29 270.194 3 ↓
Hi High (pH 8-9.5) 2.95 5.35 -2.26 1 2 0 25 269.186 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[(5-bromo-2-pyridyl)methyl]-2-methyl-cyclopentanamine (1R,2S)-N-[(5-bromo-2-pyridyl)me…

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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) 2.95 6.88 -38.62 2 2 1 29 270.194 3 ↓
Hi High (pH 8-9.5) 2.95 6.08 -2.15 1 2 0 25 269.186 3 ↓

Analogs

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Popular Name: N-cyclopentyl-N-[(6-methoxy-2-pyridyl)methyl]propane-1,3-diamine N-cyclopentyl-N-[(6-methoxy-2-py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.44 2.08 -46.7 3 4 1 53 264.393 7 ↓
Mid Mid (pH 6-8) 1.44 4.5 -116.47 4 4 2 54 265.401 7 ↓

Analogs

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Popular Name: 1-(aminomethyl)-N-[(6-methoxy-2-pyridyl)methyl]-N-methyl-cyclopentanamine 1-(aminomethyl)-N-[(6-methoxy-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.24 1.99 -50.61 3 4 1 53 250.366 5 ↓
Lo Low (pH 4.5-6) 1.24 3.83 -126.51 4 4 2 54 251.374 5 ↓

Analogs

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Popular Name: 1-(aminomethyl)-N-ethyl-N-[(6-methoxy-2-pyridyl)methyl]cyclopentanamine 1-(aminomethyl)-N-ethyl-N-[(6-me…

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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) 1.62 2.41 -40.85 3 4 1 53 264.393 6 ↓
Mid Mid (pH 6-8) 1.62 3.49 -116.64 4 4 2 54 265.401 6 ↓

Analogs

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Popular Name: 1-(aminomethyl)-N-[(6-methoxy-2-pyridyl)methyl]-N-propyl-cyclopentanamine 1-(aminomethyl)-N-[(6-methoxy-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) 2.12 2.32 -43.34 3 4 1 53 278.42 7 ↓
Mid Mid (pH 6-8) 2.12 4.46 -116.94 4 4 2 54 279.428 7 ↓

Analogs

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Popular Name: (1R,2S)-2-methoxy-N-[(6-methoxy-2-pyridyl)methyl]cyclopentanamine (1R,2S)-2-methoxy-N-[(6-methoxy-…

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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) 1.59 3.32 -36.69 2 4 1 48 237.323 5 ↓
Hi High (pH 8-9.5) 1.59 2.11 -6.42 1 4 0 43 236.315 5 ↓

Analogs

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Popular Name: (1S,2S)-2-methoxy-N-[(6-methoxy-2-pyridyl)methyl]cyclopentanamine (1S,2S)-2-methoxy-N-[(6-methoxy-…

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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) 1.59 2.8 -39.6 2 4 1 48 237.323 5 ↓
Hi High (pH 8-9.5) 1.59 1.65 -6.55 1 4 0 43 236.315 5 ↓

Analogs

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Popular Name: (1R,2R)-2-methoxy-N-[(6-methoxy-2-pyridyl)methyl]cyclopentanamine (1R,2R)-2-methoxy-N-[(6-methoxy-…

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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) 1.59 2.85 -39.39 2 4 1 48 237.323 5 ↓
Hi High (pH 8-9.5) 1.59 1.63 -5.54 1 4 0 43 236.315 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-methoxy-N-[(6-methoxy-2-pyridyl)methyl]cyclopentanamine (1S,2R)-2-methoxy-N-[(6-methoxy-…

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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) 1.59 3.32 -35.77 2 4 1 48 237.323 5 ↓
Hi High (pH 8-9.5) 1.59 2.18 -6.41 1 4 0 43 236.315 5 ↓

Analogs

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Popular Name: [1-[(6-methoxy-2-pyridyl)methylamino]cyclopentyl]methanol [1-[(6-methoxy-2-pyridyl)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) 1.56 0.95 -35.4 3 4 1 59 237.323 5 ↓
Hi High (pH 8-9.5) 1.56 -0.28 -7.49 2 4 0 54 236.315 5 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[(6-methoxy-2-pyridyl)methyl]amino]acetic 2-[cyclopentyl-[(6-methoxy-2-pyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.70 5.86 -24.17 1 5 0 67 264.325 6 ↓
Hi High (pH 8-9.5) 0.70 3.73 -44.89 0 5 -1 65 263.317 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopentyl-[(6-methoxy-2-pyridyl)methyl]amino]ethanol 2-[cyclopentyl-[(6-methoxy-2-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) 1.74 3.11 -31.29 2 4 1 47 251.35 6 ↓
Hi High (pH 8-9.5) 1.74 2.04 -6.48 1 4 0 46 250.342 6 ↓

Analogs

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Popular Name: N-(2-chloroethyl)-N-[(6-methoxy-2-pyridyl)methyl]cyclopentanamine N-(2-chloroethyl)-N-[(6-methoxy-…

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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 6.93 -37.69 1 3 1 27 269.796 6 ↓
Mid Mid (pH 6-8) 2.97 4.61 -4.46 0 3 0 25 268.788 6 ↓

Analogs

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Popular Name: N-cyclopentyl-N-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]propane-1,3-diamine N-cyclopentyl-N-[(4-methoxy-3,5-…

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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) 2.25 5.02 -86.44 4 4 2 54 293.455 7 ↓
Hi High (pH 8-9.5) 2.25 5.56 -33.58 3 4 1 53 292.447 7 ↓
Mid Mid (pH 6-8) 2.25 4.23 -42.71 3 4 1 53 292.447 7 ↓

Analogs

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Popular Name: (1S,2R)-2-(2-pyridylmethylamino)cyclopentanol (1S,2R)-2-(2-pyridylmethylamino)…

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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) 0.58 2.47 -33.07 3 3 1 50 193.27 3 ↓

Analogs

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Popular Name: (1S,2S)-2-(2-pyridylmethylamino)cyclopentanol (1S,2S)-2-(2-pyridylmethylamino)…

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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) 0.58 2 -36.35 3 3 1 50 193.27 3 ↓

Analogs

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Popular Name: (1R,2R)-2-(2-pyridylmethylamino)cyclopentanol (1R,2R)-2-(2-pyridylmethylamino)…

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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) 0.58 2 -35.58 3 3 1 50 193.27 3 ↓

Analogs

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Popular Name: (1R,2S)-2-(2-pyridylmethylamino)cyclopentanol (1R,2S)-2-(2-pyridylmethylamino)…

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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) 0.58 2.35 -32.68 3 3 1 50 193.27 3 ↓

Analogs

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Popular Name: (1S,2R)-2-[[(1S)-1-(2-pyridyl)ethyl]amino]cyclopentanol (1S,2R)-2-[[(1S)-1-(2-pyridyl)et…

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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) 1.14 3.34 -28.31 3 3 1 50 207.297 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1R)-1-(2-pyridyl)ethyl]amino]cyclopentanol (1S,2R)-2-[[(1R)-1-(2-pyridyl)et…

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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) 1.14 3.22 -29.02 3 3 1 50 207.297 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1S)-1-(2-pyridyl)ethyl]amino]cyclopentanol (1S,2S)-2-[[(1S)-1-(2-pyridyl)et…

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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) 1.14 2.75 -31.58 3 3 1 50 207.297 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1R)-1-(2-pyridyl)ethyl]amino]cyclopentanol (1S,2S)-2-[[(1R)-1-(2-pyridyl)et…

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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) 1.14 2.89 -34.07 3 3 1 50 207.297 3 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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