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Analogs

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Popular Name: 5-(cyclohexylmethyl)-3-ethyl-1H-1,2,4-triazole 5-(cyclohexylmethyl)-3-ethyl-1H-…

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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) 2.63 6.44 -6.15 1 3 0 42 193.294 3 ↓

Analogs

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Popular Name: (R)-cyclohexyl-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)methanamine (R)-cyclohexyl-(5-ethyl-2-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) 0.00 5.36 -48.13 3 4 1 58 223.344 3 ↓
Hi High (pH 8-9.5) 0.00 5.04 -5.87 2 4 0 57 222.336 3 ↓

Analogs

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Popular Name: (S)-cyclohexyl-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)methanamine (S)-cyclohexyl-(5-ethyl-2-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) 0.00 5.34 -48.61 3 4 1 58 223.344 3 ↓
Hi High (pH 8-9.5) 0.00 5.01 -7.1 2 4 0 57 222.336 3 ↓

Analogs

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Popular Name: [1-[(5-ethyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine [1-[(5-ethyl-2-methyl-1,2,4-tria…

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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) 1.20 5.11 -42.81 3 4 1 58 237.371 4 ↓

Analogs

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Popular Name: 1-[(5-ethyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanecarboxylic 1-[(5-ethyl-2-methyl-1,2,4-triaz…

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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 7.8 -46.64 0 5 -1 71 250.322 4 ↓
Lo Low (pH 4.5-6) 1.64 8.86 -30.95 1 5 0 72 251.33 4 ↓

Analogs

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Popular Name: 2-[1-[(5-ethyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic 2-[1-[(5-ethyl-2-methyl-1,2,4-tr…

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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) 1.91 7.94 -53.67 0 5 -1 71 264.349 5 ↓
Lo Low (pH 4.5-6) 1.91 8.64 -50.9 1 5 0 72 265.357 5 ↓

Analogs

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Popular Name: (R)-cyclohexyl-(2-methyl-5-propyl-1,2,4-triazol-3-yl)methanamine (R)-cyclohexyl-(2-methyl-5-propy…

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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) 0.50 5.47 -48.19 3 4 1 58 237.371 4 ↓
Hi High (pH 8-9.5) 0.50 5.15 -7.31 2 4 0 57 236.363 4 ↓

Analogs

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Popular Name: (S)-cyclohexyl-(2-methyl-5-propyl-1,2,4-triazol-3-yl)methanamine (S)-cyclohexyl-(2-methyl-5-propy…

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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) 0.50 6.11 -48.57 3 4 1 58 237.371 4 ↓
Hi High (pH 8-9.5) 0.50 5.82 -5.67 2 4 0 57 236.363 4 ↓

Analogs

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Popular Name: [1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine [1-[(2-methyl-5-propyl-1,2,4-tri…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.70 5.88 -42.83 3 4 1 58 251.398 5 ↓

Analogs

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Popular Name: 1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclohexanecarboxylic 1-[(2-methyl-5-propyl-1,2,4-tria…

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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 8.57 -46.69 0 5 -1 71 264.349 5 ↓
Lo Low (pH 4.5-6) 2.14 9.62 -30.66 1 5 0 72 265.357 5 ↓

Analogs

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Popular Name: 2-[1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic 2-[1-[(2-methyl-5-propyl-1,2,4-t…

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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) 2.41 8.72 -53.83 0 5 -1 71 278.376 6 ↓
Lo Low (pH 4.5-6) 2.41 9.41 -50.78 1 5 0 72 279.384 6 ↓

Analogs

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Popular Name: [1-[(5-isopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine [1-[(5-isopropyl-2-methyl-1,2,4-…

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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) 1.68 5.56 -42.64 3 4 1 58 251.398 4 ↓

Analogs

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Popular Name: (R)-cyclohexyl-(5-isopropyl-2-methyl-1,2,4-triazol-3-yl)methanamine (R)-cyclohexyl-(5-isopropyl-2-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) 0.49 5.81 -47.93 3 4 1 58 237.371 3 ↓
Hi High (pH 8-9.5) 0.49 5.47 -7.07 2 4 0 57 236.363 3 ↓

Analogs

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Popular Name: (S)-cyclohexyl-(5-isopropyl-2-methyl-1,2,4-triazol-3-yl)methanamine (S)-cyclohexyl-(5-isopropyl-2-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) 0.49 5.79 -48.34 3 4 1 58 237.371 3 ↓
Hi High (pH 8-9.5) 0.49 5.5 -5.73 2 4 0 57 236.363 3 ↓

Analogs

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Popular Name: 1-[(5-isopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanecarboxylic 1-[(5-isopropyl-2-methyl-1,2,4-t…

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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 8.25 -46.8 0 5 -1 71 264.349 4 ↓

Analogs

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Popular Name: 2-[1-[(5-isopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic 2-[1-[(5-isopropyl-2-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) 2.39 8.4 -54.16 0 5 -1 71 278.376 5 ↓
Lo Low (pH 4.5-6) 2.39 6.42 -8.65 1 5 0 68 279.384 5 ↓

Analogs

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Popular Name: (R)-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-cyclohexyl-methanamine (R)-(5-tert-butyl-2-methyl-1,2,4…

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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) 1.15 5.71 -48.03 3 4 1 58 251.398 3 ↓
Hi High (pH 8-9.5) 1.15 5.42 -5.9 2 4 0 57 250.39 3 ↓

Analogs

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Popular Name: (S)-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-cyclohexyl-methanamine (S)-(5-tert-butyl-2-methyl-1,2,4…

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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) 1.15 6.35 -48.44 3 4 1 58 251.398 3 ↓
Hi High (pH 8-9.5) 1.15 6.02 -6.82 2 4 0 57 250.39 3 ↓

Analogs

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Popular Name: [1-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine [1-[(5-tert-butyl-2-methyl-1,2,4…

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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 6.11 -43.31 3 4 1 58 265.425 4 ↓

Analogs

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Popular Name: 1-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanecarboxylic 1-[(5-tert-butyl-2-methyl-1,2,4-…

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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) 2.79 8.81 -47.19 0 5 -1 71 278.376 4 ↓

Analogs

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Popular Name: 2-[1-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic 2-[1-[(5-tert-butyl-2-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) 3.06 8.95 -54.44 0 5 -1 71 292.403 5 ↓
Lo Low (pH 4.5-6) 3.06 6.98 -8.44 1 5 0 68 293.411 5 ↓

Analogs

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Popular Name: (R)-cyclohexyl-(5-isobutyl-2-methyl-1,2,4-triazol-3-yl)methanamine (R)-cyclohexyl-(5-isobutyl-2-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) 0.75 5.93 -47.77 3 4 1 58 251.398 4 ↓
Hi High (pH 8-9.5) 0.75 5.7 -5.55 2 4 0 57 250.39 4 ↓

Analogs

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Popular Name: (S)-cyclohexyl-(5-isobutyl-2-methyl-1,2,4-triazol-3-yl)methanamine (S)-cyclohexyl-(5-isobutyl-2-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) 0.75 6.57 -48.16 3 4 1 58 251.398 4 ↓
Hi High (pH 8-9.5) 0.75 6.22 -6.42 2 4 0 57 250.39 4 ↓

Analogs

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Popular Name: [1-[(5-isobutyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine [1-[(5-isobutyl-2-methyl-1,2,4-t…

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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 6.33 -43.23 3 4 1 58 265.425 5 ↓

Analogs

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Popular Name: 1-[(5-isobutyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanecarboxylic 1-[(5-isobutyl-2-methyl-1,2,4-tr…

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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) 2.38 8.98 -47 0 5 -1 71 278.376 5 ↓
Lo Low (pH 4.5-6) 2.38 10.43 -30.42 1 5 0 72 279.384 5 ↓

Analogs

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Popular Name: 2-[1-[(5-isobutyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic 2-[1-[(5-isobutyl-2-methyl-1,2,4…

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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) 2.65 9.18 -54.17 0 5 -1 71 292.403 6 ↓
Lo Low (pH 4.5-6) 2.65 10.21 -50.66 1 5 0 72 293.411 6 ↓

Analogs

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Popular Name: 1-[(5-ethyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexanecarboxylic 1-[(5-ethyl-1H-1,2,4-triazol-3-y…

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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) 1.57 6.83 -47.89 1 5 -1 82 236.295 4 ↓

Analogs

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Popular Name: 2-[1-[(5-ethyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic 2-[1-[(5-ethyl-1H-1,2,4-triazol-…

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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 7.32 -41.1 1 5 -1 82 250.322 5 ↓

Analogs

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Popular Name: 1-[(5-propyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexanecarboxylic 1-[(5-propyl-1H-1,2,4-triazol-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.07 7.9 -54.13 1 5 -1 82 250.322 5 ↓

Analogs

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Popular Name: 2-[1-[(5-propyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic 2-[1-[(5-propyl-1H-1,2,4-triazol…

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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) 2.34 8.1 -42.48 1 5 -1 82 264.349 6 ↓

Analogs

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Popular Name: 1-[(5-isopropyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexanecarboxylic 1-[(5-isopropyl-1H-1,2,4-triazol…

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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) 2.06 7.03 -44.35 1 5 -1 82 250.322 4 ↓

Analogs

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Popular Name: 2-[1-[(5-isopropyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic 2-[1-[(5-isopropyl-1H-1,2,4-tria…

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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 7.4 -40.42 1 5 -1 82 264.349 5 ↓

Analogs

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Popular Name: 2-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic 2-[1-[(5-methyl-1H-1,2,4-triazol…

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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 6.71 -42.29 1 5 -1 82 236.295 4 ↓

Analogs

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Popular Name: 1-(1H-1,2,4-triazol-3-ylmethyl)cyclohexanecarboxylic 1-(1H-1,2,4-triazol-3-ylmethyl)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) 0.91 6.37 -46.08 1 5 -1 82 208.241 3 ↓

Analogs

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Popular Name: 2-[1-(1H-1,2,4-triazol-3-ylmethyl)cyclohexyl]acetic 2-[1-(1H-1,2,4-triazol-3-ylmethy…

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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) 1.18 6.83 -40.4 1 5 -1 82 222.268 4 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

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 = 21616 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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