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

3629575
3629575
3629577
3629577

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-pentylcyclohexyl)pyridine-2-carboxylic 5-(4-pentylcyclohexyl)pyridine-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) 4.26 0.94 -53.15 0 3 -1 53 274.384 6 ↓

Analogs

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Popular Name: 4-(3-pyridyl)cyclohexanamine 4-(3-pyridyl)cyclohexanamine

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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) 0.48 3.74 -46.42 3 2 1 41 177.271 1 ↓
Lo Low (pH 4.5-6) 0.48 4.19 -87.09 4 2 2 42 178.279 1 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.64 7.7 -9.26 1 4 0 51 306.431 6 ↓
Lo Low (pH 4.5-6) 1.64 8.16 -45.2 2 4 1 52 307.439 6 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.64 7.6 -8.94 1 4 0 51 306.431 6 ↓
Lo Low (pH 4.5-6) 1.64 8.06 -45.13 2 4 1 52 307.439 6 ↓

Analogs

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Popular Name: 1-(6-methyl-3-pyridyl)cyclohexanol 1-(6-methyl-3-pyridyl)cyclohexanol

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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) 2.07 4.12 -5.07 1 2 0 33 191.274 1 ↓
Mid Mid (pH 6-8) 2.07 4.56 -31.18 2 2 1 34 192.282 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,5R)-2-isopropyl-5-methyl-1-(6-methyl-3-pyridyl)cyclohexanol (1S,2R,5R)-2-isopropyl-5-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.82 5.34 -3.3 1 2 0 33 247.382 2 ↓
Mid Mid (pH 6-8) 3.82 5.77 -31.5 2 2 1 34 248.39 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,5R)-2-isopropyl-5-methyl-1-(6-methyl-3-pyridyl)cyclohexanol (1R,2R,5R)-2-isopropyl-5-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.82 6.94 -3.79 1 2 0 33 247.382 2 ↓
Mid Mid (pH 6-8) 3.82 7.37 -31.61 2 2 1 34 248.39 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,5S)-2-isopropyl-5-methyl-1-(6-methyl-3-pyridyl)cyclohexanol (1S,2R,5S)-2-isopropyl-5-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.82 5.57 -3.08 1 2 0 33 247.382 2 ↓
Mid Mid (pH 6-8) 3.82 5.99 -31.41 2 2 1 34 248.39 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,5S)-2-isopropyl-5-methyl-1-(6-methyl-3-pyridyl)cyclohexanol (1R,2R,5S)-2-isopropyl-5-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.82 6.72 -3.92 1 2 0 33 247.382 2 ↓
Mid Mid (pH 6-8) 3.82 7.15 -31.6 2 2 1 34 248.39 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-methyl-1-(6-methyl-3-pyridyl)cyclohexanol (1S,3S)-3-methyl-1-(6-methyl-3-p…

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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) 2.07 4.72 -5 1 2 0 33 205.301 1 ↓
Mid Mid (pH 6-8) 2.07 5.16 -31.32 2 2 1 34 206.309 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-methyl-1-(6-methyl-3-pyridyl)cyclohexanol (1R,3S)-3-methyl-1-(6-methyl-3-p…

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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) 2.07 4.93 -4.87 1 2 0 33 205.301 1 ↓
Mid Mid (pH 6-8) 2.07 5.36 -31.19 2 2 1 34 206.309 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-methyl-1-(6-methyl-3-pyridyl)cyclohexanol (1S,3R)-3-methyl-1-(6-methyl-3-p…

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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) 2.07 4.93 -4.91 1 2 0 33 205.301 1 ↓
Mid Mid (pH 6-8) 2.07 5.36 -31.18 2 2 1 34 206.309 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-methyl-1-(6-methyl-3-pyridyl)cyclohexanol (1R,3R)-3-methyl-1-(6-methyl-3-p…

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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) 2.07 4.72 -4.99 1 2 0 33 205.301 1 ↓
Mid Mid (pH 6-8) 2.07 5.16 -31.34 2 2 1 34 206.309 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(6-methyl-3-pyridyl)-4-propyl-cyclohexanol 1-(6-methyl-3-pyridyl)-4-propyl-…

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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) 3.08 5.88 -4.85 1 2 0 33 233.355 3 ↓
Mid Mid (pH 6-8) 3.08 6.34 -31.81 2 2 1 34 234.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-(6-methyl-3-pyridyl)cyclohexanol 4-methyl-1-(6-methyl-3-pyridyl)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) 1.84 4.5 -4.98 1 2 0 33 205.301 1 ↓
Mid Mid (pH 6-8) 1.84 4.94 -31.53 2 2 1 34 206.309 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,5R)-3,3,5-trimethyl-1-(6-methyl-3-pyridyl)cyclohexanol (1S,5R)-3,3,5-trimethyl-1-(6-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) 2.73 6.03 -4.74 1 2 0 33 233.355 1 ↓
Mid Mid (pH 6-8) 2.73 6.46 -31.59 2 2 1 34 234.363 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5R)-3,3,5-trimethyl-1-(6-methyl-3-pyridyl)cyclohexanol (1R,5R)-3,3,5-trimethyl-1-(6-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) 2.73 5.9 -4.73 1 2 0 33 233.355 1 ↓
Mid Mid (pH 6-8) 2.73 6.34 -31.61 2 2 1 34 234.363 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,5S)-3,3,5-trimethyl-1-(6-methyl-3-pyridyl)cyclohexanol (1S,5S)-3,3,5-trimethyl-1-(6-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) 2.73 5.9 -4.73 1 2 0 33 233.355 1 ↓
Mid Mid (pH 6-8) 2.73 6.34 -31.57 2 2 1 34 234.363 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-3,3,5-trimethyl-1-(6-methyl-3-pyridyl)cyclohexanol (1R,5S)-3,3,5-trimethyl-1-(6-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) 2.73 6.03 -4.74 1 2 0 33 233.355 1 ↓
Mid Mid (pH 6-8) 2.73 6.46 -31.57 2 2 1 34 234.363 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dimethylpropyl)-1-(6-methyl-3-pyridyl)cyclohexanol 4-(1,1-dimethylpropyl)-1-(6-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) 3.50 6.6 -4.76 1 2 0 33 261.409 3 ↓
Mid Mid (pH 6-8) 3.50 7.05 -31.23 2 2 1 34 262.417 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-(6-methyl-3-pyridyl)cyclohexanol 4-ethyl-1-(6-methyl-3-pyridyl)cy…

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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) 2.52 5.37 -4.9 1 2 0 33 219.328 2 ↓
Mid Mid (pH 6-8) 2.52 5.82 -31.39 2 2 1 34 220.336 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-1-(6-methyl-3-pyridyl)cyclohexanol 4-tert-butyl-1-(6-methyl-3-pyrid…

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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) 3.17 6.1 -4.75 1 2 0 33 247.382 2 ↓
Mid Mid (pH 6-8) 3.17 6.54 -31.23 2 2 1 34 248.39 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-methyl-1-(6-methyl-3-pyridyl)cyclohexanol (1S,2S)-2-methyl-1-(6-methyl-3-p…

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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) 2.31 4.24 -4.81 1 2 0 33 205.301 1 ↓
Mid Mid (pH 6-8) 2.31 4.66 -29.73 2 2 1 34 206.309 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-methyl-1-(6-methyl-3-pyridyl)cyclohexanol (1R,2S)-2-methyl-1-(6-methyl-3-p…

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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) 2.31 4.56 -4.81 1 2 0 33 205.301 1 ↓
Mid Mid (pH 6-8) 2.31 4.98 -31.05 2 2 1 34 206.309 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-methyl-1-(6-methyl-3-pyridyl)cyclohexanol (1S,2R)-2-methyl-1-(6-methyl-3-p…

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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) 2.31 4.56 -4.8 1 2 0 33 205.301 1 ↓
Mid Mid (pH 6-8) 2.31 4.98 -31.03 2 2 1 34 206.309 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-methyl-1-(6-methyl-3-pyridyl)cyclohexanol (1R,2R)-2-methyl-1-(6-methyl-3-p…

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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) 2.31 4.23 -4.84 1 2 0 33 205.301 1 ↓
Mid Mid (pH 6-8) 2.31 4.66 -29.71 2 2 1 34 206.309 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-tert-butyl-1-(6-methyl-3-pyridyl)cyclohexanol (1S,2R)-2-tert-butyl-1-(6-methyl…

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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) 3.64 5.46 -4.04 1 2 0 33 247.382 2 ↓
Mid Mid (pH 6-8) 3.64 5.89 -31.28 2 2 1 34 248.39 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-tert-butyl-1-(6-methyl-3-pyridyl)cyclohexanol (1R,2R)-2-tert-butyl-1-(6-methyl…

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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) 3.64 6.07 -3.71 1 2 0 33 247.382 2 ↓
Mid Mid (pH 6-8) 3.64 6.51 -32.04 2 2 1 34 248.39 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-tert-butyl-1-(6-methyl-3-pyridyl)cyclohexanol (1S,2S)-2-tert-butyl-1-(6-methyl…

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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) 3.64 6.02 -3.67 1 2 0 33 247.382 2 ↓
Mid Mid (pH 6-8) 3.64 6.46 -32.01 2 2 1 34 248.39 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-tert-butyl-1-(6-methyl-3-pyridyl)cyclohexanol (1R,2S)-2-tert-butyl-1-(6-methyl…

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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) 3.64 5.46 -4.03 1 2 0 33 247.382 2 ↓
Mid Mid (pH 6-8) 3.64 5.89 -31.25 2 2 1 34 248.39 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isopropyl-1-(6-methyl-3-pyridyl)cyclohexanol 4-isopropyl-1-(6-methyl-3-pyridy…

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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) 3.34 5.82 -4.87 1 2 0 33 233.355 2 ↓
Mid Mid (pH 6-8) 3.34 6.26 -31.36 2 2 1 34 234.363 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,5R)-2-isopropyl-5-methyl-1-(6-methyl-3-pyridyl)cyclohexanamine (1S,2R,5R)-2-isopropyl-5-methyl-…

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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) 3.86 5.82 -44.91 3 2 1 41 247.406 2 ↓
Hi High (pH 8-9.5) 3.86 5.63 -2.79 2 2 0 39 246.398 2 ↓
Mid Mid (pH 6-8) 3.86 6.25 -103.48 4 2 2 42 248.414 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,5R)-2-isopropyl-5-methyl-1-(6-methyl-3-pyridyl)cyclohexanamine (1R,2R,5R)-2-isopropyl-5-methyl-…

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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) 3.86 6.24 -43.19 3 2 1 41 247.406 2 ↓
Hi High (pH 8-9.5) 3.86 7.2 -3.6 2 2 0 39 246.398 2 ↓
Mid Mid (pH 6-8) 3.86 6.67 -99.3 4 2 2 42 248.414 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,5S)-2-isopropyl-5-methyl-1-(6-methyl-3-pyridyl)cyclohexanamine (1S,2R,5S)-2-isopropyl-5-methyl-…

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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) 3.86 5.73 -44.88 3 2 1 41 247.406 2 ↓
Hi High (pH 8-9.5) 3.86 5.97 -2.91 2 2 0 39 246.398 2 ↓
Mid Mid (pH 6-8) 3.86 6.16 -106.69 4 2 2 42 248.414 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,5S)-2-isopropyl-5-methyl-1-(6-methyl-3-pyridyl)cyclohexanamine (1R,2R,5S)-2-isopropyl-5-methyl-…

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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) 3.86 6.36 -38.81 3 2 0 41 247.406 2 ↓
Hi High (pH 8-9.5) 3.86 7.07 -3.5 2 2 0 39 246.398 2 ↓
Mid Mid (pH 6-8) 3.86 6.8 -27.81 4 2 0 42 248.414 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-methyl-1-(6-methyl-3-pyridyl)cyclohexanamine (1S,3S)-3-methyl-1-(6-methyl-3-p…

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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 5.12 -45.11 3 2 1 41 205.325 1 ↓
Hi High (pH 8-9.5) 2.12 4.93 -3.5 2 2 0 39 204.317 1 ↓
Mid Mid (pH 6-8) 2.12 5.56 -100.27 4 2 2 42 206.333 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-methyl-1-(6-methyl-3-pyridyl)cyclohexanamine (1R,3S)-3-methyl-1-(6-methyl-3-p…

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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 5.04 -44.4 3 2 1 41 205.325 1 ↓
Hi High (pH 8-9.5) 2.12 5.29 -3.73 2 2 0 39 204.317 1 ↓
Mid Mid (pH 6-8) 2.12 5.48 -99.72 4 2 2 42 206.333 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-methyl-1-(6-methyl-3-pyridyl)cyclohexanamine (1S,3R)-3-methyl-1-(6-methyl-3-p…

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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 5.04 -44.42 3 2 1 41 205.325 1 ↓
Hi High (pH 8-9.5) 2.12 5.27 -3.69 2 2 0 39 204.317 1 ↓
Mid Mid (pH 6-8) 2.12 5.48 -99.74 4 2 2 42 206.333 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-methyl-1-(6-methyl-3-pyridyl)cyclohexanamine (1R,3R)-3-methyl-1-(6-methyl-3-p…

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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 5.12 -45.11 3 2 1 41 205.325 1 ↓
Hi High (pH 8-9.5) 2.12 4.86 -3.94 2 2 0 39 204.317 1 ↓
Mid Mid (pH 6-8) 2.12 5.56 -100.32 4 2 2 42 206.333 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(6-methyl-3-pyridyl)-4-propyl-cyclohexanamine 1-(6-methyl-3-pyridyl)-4-propyl-…

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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 5.76 -46.1 3 2 1 41 233.379 3 ↓
Hi High (pH 8-9.5) 3.13 6.09 -3.43 2 2 0 39 232.371 3 ↓
Mid Mid (pH 6-8) 3.13 6.19 -103.18 4 2 2 42 234.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-(6-methyl-3-pyridyl)cyclohexanamine 4-methyl-1-(6-methyl-3-pyridyl)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) 1.88 4.92 -45.28 3 2 1 41 205.325 1 ↓
Hi High (pH 8-9.5) 1.88 4.71 -3.49 2 2 0 39 204.317 1 ↓
Mid Mid (pH 6-8) 1.88 5.36 -100.54 4 2 2 42 206.333 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,5R)-3,3,5-trimethyl-1-(6-methyl-3-pyridyl)cyclohexanamine (1S,5R)-3,3,5-trimethyl-1-(6-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) 2.77 6.13 -46.1 3 2 1 41 233.379 1 ↓
Hi High (pH 8-9.5) 2.77 6.36 -3.57 2 2 0 39 232.371 1 ↓
Mid Mid (pH 6-8) 2.77 6.56 -102.99 4 2 2 42 234.387 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5R)-3,3,5-trimethyl-1-(6-methyl-3-pyridyl)cyclohexanamine (1R,5R)-3,3,5-trimethyl-1-(6-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) 2.77 6.09 -43.4 3 2 1 41 233.379 1 ↓
Hi High (pH 8-9.5) 2.77 6.09 -3.59 2 2 0 39 232.371 1 ↓
Mid Mid (pH 6-8) 2.77 6.52 -101.07 4 2 2 42 234.387 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,5S)-3,3,5-trimethyl-1-(6-methyl-3-pyridyl)cyclohexanamine (1S,5S)-3,3,5-trimethyl-1-(6-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) 2.77 4.82 -46.37 3 2 1 41 233.379 1 ↓
Hi High (pH 8-9.5) 2.77 6.05 -3.5 2 2 0 39 232.371 1 ↓
Mid Mid (pH 6-8) 2.77 5.26 -106.42 4 2 2 42 234.387 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-3,3,5-trimethyl-1-(6-methyl-3-pyridyl)cyclohexanamine (1R,5S)-3,3,5-trimethyl-1-(6-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) 2.77 6.12 -46.05 3 2 1 41 233.379 1 ↓
Hi High (pH 8-9.5) 2.77 6.38 -3.59 2 2 0 39 232.371 1 ↓
Mid Mid (pH 6-8) 2.77 6.56 -103.04 4 2 2 42 234.387 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dimethylpropyl)-1-(6-methyl-3-pyridyl)cyclohexanamine 4-(1,1-dimethylpropyl)-1-(6-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) 3.54 7.02 -46.48 3 2 1 41 261.433 3 ↓
Hi High (pH 8-9.5) 3.54 6.75 -3.83 2 2 0 39 260.425 3 ↓
Mid Mid (pH 6-8) 3.54 7.46 -107.26 4 2 2 42 262.441 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(6-methyl-3-pyridyl)cyclohexanamine 1-(6-methyl-3-pyridyl)cyclohexan…

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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) 2.11 4.52 -44.36 3 2 1 41 191.298 1 ↓
Hi High (pH 8-9.5) 2.11 4.33 -3.57 2 2 0 39 190.29 1 ↓
Mid Mid (pH 6-8) 2.11 4.96 -98.68 4 2 2 42 192.306 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-(6-methyl-3-pyridyl)cyclohexanamine 4-ethyl-1-(6-methyl-3-pyridyl)cy…

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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) 2.57 5 -45.93 3 2 1 41 219.352 2 ↓
Hi High (pH 8-9.5) 2.57 5.32 -3.4 2 2 0 39 218.344 2 ↓
Mid Mid (pH 6-8) 2.57 5.44 -102.91 4 2 2 42 220.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-1-(6-methyl-3-pyridyl)cyclohexanamine 4-tert-butyl-1-(6-methyl-3-pyrid…

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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) 3.21 6.53 -46.45 3 2 1 41 247.406 2 ↓
Hi High (pH 8-9.5) 3.21 6.26 -3.84 2 2 0 39 246.398 2 ↓
Mid Mid (pH 6-8) 3.21 6.96 -103.4 4 2 2 42 248.414 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-methyl-1-(6-methyl-3-pyridyl)cyclohexanamine (1S,2S)-2-methyl-1-(6-methyl-3-p…

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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) 2.35 4.69 -41.68 3 2 1 41 205.325 1 ↓
Hi High (pH 8-9.5) 2.35 4.51 -3.34 2 2 0 39 204.317 1 ↓
Mid Mid (pH 6-8) 2.35 5.13 -103.38 4 2 2 42 206.333 1 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

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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 = 3076 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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