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

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]cyclohexanol (1S,2S)-2-[[cyclopentyl(2-hydrox…

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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 2.89 -30.71 3 3 1 45 242.383 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]cyclohexanol (1S,2R)-2-[[cyclopentyl(2-hydrox…

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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 3.61 -29.54 3 3 1 45 242.383 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-methyl-cyclohexanol (1S,2S,4R)-2-[[cyclopentyl(2-hyd…

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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 3.92 -30.34 3 3 1 45 256.41 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-methyl-cyclohexanol (1S,2S,4S)-2-[[cyclopentyl(2-hyd…

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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 3.7 -30.34 3 3 1 45 256.41 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-methyl-cyclohexanol (1R,2S,4R)-2-[[cyclopentyl(2-hyd…

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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 4.76 -27.18 3 3 1 45 256.41 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-methyl-cyclohexanol (1R,2S,4S)-2-[[cyclopentyl(2-hyd…

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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 4.53 -27.18 3 3 1 45 256.41 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-ethyl-cyclohexanol (1S,2S,4R)-2-[[cyclopentyl(2-hyd…

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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 5.03 -31.49 3 3 1 45 270.437 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-ethyl-cyclohexanol (1S,2S,4S)-2-[[cyclopentyl(2-hyd…

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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 5.1 -26.82 3 3 1 45 270.437 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-ethyl-cyclohexanol (1R,2S,4R)-2-[[cyclopentyl(2-hyd…

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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 5.28 -28.4 3 3 1 45 270.437 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-ethyl-cyclohexanol (1R,2S,4S)-2-[[cyclopentyl(2-hyd…

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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 4.62 -33.11 3 3 1 45 270.437 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-propyl-cyclohexanol (1S,2S,4R)-2-[[cyclopentyl(2-hyd…

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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) 3.50 5.33 -30.42 3 3 1 45 284.464 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-propyl-cyclohexanol (1S,2S,4S)-2-[[cyclopentyl(2-hyd…

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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) 3.50 5.86 -27.07 3 3 1 45 284.464 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-propyl-cyclohexanol (1R,2S,4R)-2-[[cyclopentyl(2-hyd…

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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) 3.50 6.17 -27.39 3 3 1 45 284.464 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-propyl-cyclohexanol (1R,2S,4S)-2-[[cyclopentyl(2-hyd…

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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) 3.50 4.92 -2.66 3 3 0 45 284.464 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-4-tert-butyl-2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]cyclohexanol (1S,2S,4R)-4-tert-butyl-2-[[cycl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.58 5.27 -30.27 3 3 1 45 298.491 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-4-tert-butyl-2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]cyclohexanol (1S,2S,4S)-4-tert-butyl-2-[[cycl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.58 5.42 -27.48 3 3 1 45 298.491 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-4-tert-butyl-2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]cyclohexanol (1R,2S,4R)-4-tert-butyl-2-[[cycl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.58 5.99 -28.89 3 3 1 45 298.491 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-4-tert-butyl-2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]cyclohexanol (1R,2S,4S)-4-tert-butyl-2-[[cycl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.58 4.96 -33.89 3 3 1 45 298.491 6 ↓

Analogs

22220157
22220157
32553274
32553274
32553275
32553275

Draw Identity 99% 90% 80% 70%

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

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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) 2.82 6.28 -123.24 4 2 2 32 226.408 4 ↓
Mid Mid (pH 6-8) 2.82 4.08 -42.13 3 2 1 31 225.4 4 ↓

Analogs

22220157
22220157
32553274
32553274
32553275
32553275

Draw Identity 99% 90% 80% 70%

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

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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) 2.82 6.78 -121.99 4 2 2 32 226.408 4 ↓
Mid Mid (pH 6-8) 2.82 5.07 -41.18 3 2 1 31 225.4 4 ↓

Analogs

42610951
42610951
42610953
42610953
42610955
42610955
42610957
42610957
42781571
42781571

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[cyclopentyl(methyl)amino]methyl]cyclohexanamine 1-[[cyclopentyl(methyl)amino]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) 3.13 6.46 -116.68 4 2 2 32 212.381 3 ↓
Mid Mid (pH 6-8) 3.13 7.07 -28.9 3 2 1 30 211.373 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.44 7.88 -40.1 2 2 1 40 207.341 3 ↓
Hi High (pH 8-9.5) 3.44 6.7 -5.14 1 2 0 36 206.333 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.44 7.67 -47.35 2 2 1 40 207.341 3 ↓
Hi High (pH 8-9.5) 3.44 6.52 -5.29 1 2 0 36 206.333 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.44 7.73 -49.38 2 2 1 40 207.341 3 ↓
Hi High (pH 8-9.5) 3.44 6.65 -4.43 1 2 0 36 206.333 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.44 7.83 -41.87 2 2 1 40 207.341 3 ↓
Hi High (pH 8-9.5) 3.44 6.9 -5.35 1 2 0 36 206.333 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(4-ethylcyclohexyl)methylamino]cyclopentanecarbonitrile (1S,2R)-2-[(4-ethylcyclohexyl)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) 3.89 8.89 -41.04 2 2 1 40 235.395 4 ↓
Hi High (pH 8-9.5) 3.89 7.85 -4.93 1 2 0 36 234.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(4-ethylcyclohexyl)methylamino]cyclopentanecarbonitrile (1S,2S)-2-[(4-ethylcyclohexyl)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) 3.89 8.93 -47.7 2 2 1 40 235.395 4 ↓
Hi High (pH 8-9.5) 3.89 7.77 -5.25 1 2 0 36 234.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[(4-ethylcyclohexyl)methylamino]cyclopentanecarbonitrile (1R,2R)-2-[(4-ethylcyclohexyl)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) 3.89 8.74 -50.36 2 2 1 40 235.395 4 ↓
Hi High (pH 8-9.5) 3.89 7.66 -4.32 1 2 0 36 234.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[(4-ethylcyclohexyl)methylamino]cyclopentanecarbonitrile (1R,2S)-2-[(4-ethylcyclohexyl)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) 3.89 8.84 -42.68 2 2 1 40 235.395 4 ↓
Hi High (pH 8-9.5) 3.89 8.05 -5.13 1 2 0 36 234.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1R,3R)-1-(dimethylamino)-3-methyl-cyclohexyl]methylamino]cyclopentanecarbonitrile (1S,2R)-2-[[(1R,3R)-1-(dimethyla…

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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 9.53 -30.91 2 3 1 40 264.437 4 ↓
Hi High (pH 8-9.5) 3.16 7.9 -38.59 2 3 1 44 264.437 4 ↓
Lo Low (pH 4.5-6) 3.16 9.62 -108.81 3 3 2 45 265.445 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1R,3S)-1-(dimethylamino)-3-methyl-cyclohexyl]methylamino]cyclopentanecarbonitrile (1S,2R)-2-[[(1R,3S)-1-(dimethyla…

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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 7.99 -30.93 2 3 1 40 264.437 4 ↓
Hi High (pH 8-9.5) 3.16 7.04 -38.95 2 3 1 44 264.437 4 ↓
Lo Low (pH 4.5-6) 3.16 9.16 -110.93 3 3 2 45 265.445 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1S,3R)-1-(dimethylamino)-3-methyl-cyclohexyl]methylamino]cyclopentanecarbonitrile (1S,2R)-2-[[(1S,3R)-1-(dimethyla…

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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 8.03 -30.89 2 3 1 40 264.437 4 ↓
Hi High (pH 8-9.5) 3.16 7.04 -39.01 2 3 1 44 264.437 4 ↓
Lo Low (pH 4.5-6) 3.16 9.17 -110.88 3 3 2 45 265.445 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1S,3S)-1-(dimethylamino)-3-methyl-cyclohexyl]methylamino]cyclopentanecarbonitrile (1S,2R)-2-[[(1S,3S)-1-(dimethyla…

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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 8.43 -37.04 2 3 1 40 264.437 4 ↓
Hi High (pH 8-9.5) 3.16 7.84 -40.13 2 3 1 44 264.437 4 ↓
Lo Low (pH 4.5-6) 3.16 9.34 -113.16 3 3 2 45 265.445 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1S,2R)-2-methylcyclohexyl]methylamino]cyclopentanecarbonitrile (1S,2R)-2-[[(1S,2R)-2-methylcycl…

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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 8.12 -40.47 2 2 1 40 221.368 3 ↓
Hi High (pH 8-9.5) 3.68 6.95 -5.11 1 2 0 36 220.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1S,2S)-2-methylcyclohexyl]methylamino]cyclopentanecarbonitrile (1S,2R)-2-[[(1S,2S)-2-methylcycl…

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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 8.34 -40.34 2 2 1 40 221.368 3 ↓
Hi High (pH 8-9.5) 3.68 7.17 -5.1 1 2 0 36 220.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1R,2R)-2-methylcyclohexyl]methylamino]cyclopentanecarbonitrile (1S,2R)-2-[[(1R,2R)-2-methylcycl…

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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 8.35 -40.45 2 2 1 40 221.368 3 ↓
Hi High (pH 8-9.5) 3.68 7.31 -4.94 1 2 0 36 220.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1R,2S)-2-methylcyclohexyl]methylamino]cyclopentanecarbonitrile (1S,2R)-2-[[(1R,2S)-2-methylcycl…

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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 8.14 -40.66 2 2 1 40 221.368 3 ↓
Hi High (pH 8-9.5) 3.68 7.08 -4.95 1 2 0 36 220.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1S)-1-cyclohexylethyl]amino]cyclopentanecarbonitrile (1S,2R)-2-[[(1S)-1-cyclohexyleth…

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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) 3.77 8.12 -37.2 2 2 1 40 221.368 3 ↓
Hi High (pH 8-9.5) 3.77 7.15 -4.84 1 2 0 36 220.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1R)-1-cyclohexylethyl]amino]cyclopentanecarbonitrile (1S,2R)-2-[[(1R)-1-cyclohexyleth…

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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) 3.77 8.22 -37.31 2 2 1 40 221.368 3 ↓
Hi High (pH 8-9.5) 3.77 7.42 -4.96 1 2 0 36 220.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1S)-1-cyclohexylethyl]amino]cyclopentanecarbonitrile (1S,2S)-2-[[(1S)-1-cyclohexyleth…

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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) 3.77 7.96 -45.66 2 2 1 40 221.368 3 ↓
Hi High (pH 8-9.5) 3.77 7.09 -5.31 1 2 0 36 220.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1R)-1-cyclohexylethyl]amino]cyclopentanecarbonitrile (1S,2S)-2-[[(1R)-1-cyclohexyleth…

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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) 3.77 7.91 -45.1 2 2 1 40 221.368 3 ↓
Hi High (pH 8-9.5) 3.77 7.09 -5.37 1 2 0 36 220.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1S)-1-cyclohexylpropyl]amino]cyclopentanecarbonitrile (1S,2R)-2-[[(1S)-1-cyclohexylpro…

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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) 4.30 8.91 -36.73 2 2 1 40 235.395 4 ↓
Hi High (pH 8-9.5) 4.30 8.12 -4.81 1 2 0 36 234.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1R)-1-cyclohexylpropyl]amino]cyclopentanecarbonitrile (1S,2R)-2-[[(1R)-1-cyclohexylpro…

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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) 4.30 8.94 -36.9 2 2 1 40 235.395 4 ↓
Hi High (pH 8-9.5) 4.30 8.04 -4.85 1 2 0 36 234.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1S)-1-cyclohexylpropyl]amino]cyclopentanecarbonitrile (1S,2S)-2-[[(1S)-1-cyclohexylpro…

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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) 4.30 8.6 -43.5 2 2 1 40 235.395 4 ↓
Hi High (pH 8-9.5) 4.30 7.81 -5.14 1 2 0 36 234.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1R)-1-cyclohexylpropyl]amino]cyclopentanecarbonitrile (1S,2S)-2-[[(1R)-1-cyclohexylpro…

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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) 4.30 8.33 -44.03 2 2 1 40 235.395 4 ↓
Hi High (pH 8-9.5) 4.30 7.64 -5.15 1 2 0 36 234.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclohexylpropyl]cyclopentanamine N-[(1S)-1-cyclohexylpropyl]cyclo…

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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) 4.65 8.55 -33.16 2 1 1 17 210.385 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclohexylpropyl]cyclopentanamine N-[(1R)-1-cyclohexylpropyl]cyclo…

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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) 4.65 8.59 -33.12 2 1 1 17 210.385 4 ↓

Analogs

42579021
42579021
42579024
42579024
42579027
42579027
42579030
42579030

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1S)-1-cyclohexylethyl]amino]cyclopentanol (1S,2R)-2-[[(1S)-1-cyclohexyleth…

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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 4.88 -30.28 3 2 1 37 212.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1R)-1-cyclohexylethyl]amino]cyclopentanol (1S,2R)-2-[[(1R)-1-cyclohexyleth…

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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 4.97 -30.38 3 2 1 37 212.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1S)-1-cyclohexylethyl]amino]cyclopentanol (1S,2S)-2-[[(1S)-1-cyclohexyleth…

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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 4.42 -35.51 3 2 1 37 212.357 3 ↓

Parameters Provided:

ring.id = 114408
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 = 114408 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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