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

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Popular Name: 4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexanamine 4-(5-methyl-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) -0.64 2.58 -44.25 4 4 1 69 181.263 1 ↓

Analogs

41161640
41161640

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Popular Name: 4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclohexanamine 4-(5-ethyl-1H-1,2,4-triazol-3-yl…

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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) -0.07 3.2 -43.87 4 4 1 69 195.29 2 ↓

Analogs

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Popular Name: 3-cyclohexyl-5-(2-propoxyethyl)-1H-1,2,4-triazole 3-cyclohexyl-5-(2-propoxyethyl)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.53 6.61 -5.71 1 4 0 51 237.347 6 ↓

Analogs

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Popular Name: 2-[[5-(4-tert-butylcyclohexyl)-4H-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-(4-tert-butylcyclohexyl)-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 8.34 -40.15 1 5 -1 82 296.416 5 ↓

Analogs

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Popular Name: 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-N-ethyl-ethanamine 2-(5-cyclohexyl-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) 1.55 7.1 -47.75 2 4 1 47 237.371 5 ↓

Analogs

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Popular Name: 4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-2-methyl-butan-2-amine 4-(5-cyclohexyl-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) 2.23 6.12 -48.61 3 4 1 58 251.398 4 ↓

Analogs

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Popular Name: (1S)-1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-N-methyl-ethanamine (1S)-1-(5-cyclohexyl-2-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) 1.68 5.82 -41.55 2 4 1 47 223.344 3 ↓
Hi High (pH 8-9.5) 1.68 4.46 -7.01 1 4 0 43 222.336 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-N-methyl-ethanamine (1R)-1-(5-cyclohexyl-2-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) 1.68 5.84 -41.32 2 4 1 47 223.344 3 ↓
Hi High (pH 8-9.5) 1.68 4.58 -7.59 1 4 0 43 222.336 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)propan-1-amine (2S)-2-(5-cyclohexyl-2-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) 0.87 4.81 -52.26 3 4 1 58 223.344 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)propan-1-amine (2R)-2-(5-cyclohexyl-2-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) 0.87 4.81 -52.58 3 4 1 58 223.344 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-cyclohexyl-2-methyl-1,2,4-triazol-3-amine 5-cyclohexyl-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) 1.26 6.09 -8.05 2 4 0 57 180.255 1 ↓
Lo Low (pH 4.5-6) 1.26 6.69 -29.07 3 4 1 58 181.263 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methoxy-propan-1-amine (1R)-1-(5-cyclohexyl-2-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) -0.70 4.01 -49.32 3 5 1 68 253.37 5 ↓
Mid Mid (pH 6-8) -0.70 3.71 -7.73 2 5 0 66 252.362 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methoxy-propan-1-amine (1S)-1-(5-cyclohexyl-2-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) -0.70 4.02 -48.84 3 5 1 68 253.37 5 ↓
Mid Mid (pH 6-8) -0.70 3.69 -8.97 2 5 0 66 252.362 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)pentan-2-amine (2S)-2-(5-cyclohexyl-2-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) 2.81 6.17 -47.27 3 4 1 58 251.398 4 ↓
Hi High (pH 8-9.5) 2.81 5.97 -6.12 2 4 0 57 250.39 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)pentan-2-amine (2R)-2-(5-cyclohexyl-2-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) 2.81 6.18 -47.55 3 4 1 58 251.398 4 ↓
Hi High (pH 8-9.5) 2.81 5.94 -6.3 2 4 0 57 250.39 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)butan-1-amine (1S)-1-(5-cyclohexyl-2-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) 0.48 5.71 -46.73 3 4 1 58 237.371 4 ↓
Hi High (pH 8-9.5) 0.48 5.39 -7.28 2 4 0 57 236.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)butan-1-amine (1R)-1-(5-cyclohexyl-2-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) 0.48 5.73 -46.39 3 4 1 58 237.371 4 ↓
Hi High (pH 8-9.5) 0.48 5.42 -6.05 2 4 0 57 236.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine N-[(5-cyclohexyl-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) 1.79 6.9 -42.27 2 4 1 47 237.371 4 ↓
Hi High (pH 8-9.5) 1.79 5.71 -6.13 1 4 0 43 236.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine N-[2-(5-cyclohexyl-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) 2.19 7.63 -46.37 2 4 1 47 251.398 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-N-isopropyl-propan-1-amine 3-(5-cyclohexyl-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) 2.46 8.41 -45.79 2 4 1 47 265.425 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-propan-2-amine N-[2-(5-cyclohexyl-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) 2.71 8.06 -45.23 2 4 1 47 265.425 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]butan-2-amine (2R)-N-[(5-cyclohexyl-2-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) 2.33 7.71 -42.35 2 4 1 47 251.398 5 ↓
Hi High (pH 8-9.5) 2.33 6.66 -5.93 1 4 0 43 250.39 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]butan-2-amine (2S)-N-[(5-cyclohexyl-2-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) 2.33 7.71 -42.07 2 4 1 47 251.398 5 ↓
Hi High (pH 8-9.5) 2.33 6.51 -5.91 1 4 0 43 250.39 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-amino-3-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)propan-1-ol (3R)-3-amino-3-(5-cyclohexyl-2-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) -1.32 1.6 -50.16 4 5 1 79 239.343 4 ↓
Mid Mid (pH 6-8) -1.32 1.3 -8.69 3 5 0 77 238.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-amino-3-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)propan-1-ol (3S)-3-amino-3-(5-cyclohexyl-2-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) -1.32 1.62 -49.69 4 5 1 79 239.343 4 ↓
Mid Mid (pH 6-8) -1.32 1.29 -10.12 3 5 0 77 238.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)propan-2-amine 2-(5-cyclohexyl-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) 1.75 4.68 -48 3 4 1 58 223.344 2 ↓
Mid Mid (pH 6-8) 1.75 4.52 -6.4 2 4 0 57 222.336 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine 6-(5-cyclohexyl-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) 2.09 7.47 -48.64 3 4 1 58 265.425 7 ↓
Lo Low (pH 4.5-6) 2.09 8.03 -84.13 4 4 2 60 266.433 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylsulfonyl-propan-1-amine (1R)-1-(5-cyclohexyl-2-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) -1.28 2.5 -67.99 3 6 1 93 301.436 5 ↓
Mid Mid (pH 6-8) -1.28 2.17 -20.9 2 6 0 91 300.428 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylsulfonyl-propan-1-amine (1S)-1-(5-cyclohexyl-2-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) -1.28 2.52 -67.54 3 6 1 93 301.436 5 ↓
Mid Mid (pH 6-8) -1.28 2.21 -18.39 2 6 0 91 300.428 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylsulfanyl-propan-1-amine (1R)-1-(5-cyclohexyl-2-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) -0.16 6.17 -51.14 3 4 1 58 269.438 5 ↓
Mid Mid (pH 6-8) -0.16 5.87 -7.66 2 4 0 57 268.43 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylsulfanyl-propan-1-amine (1S)-1-(5-cyclohexyl-2-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) -0.16 6.19 -50.76 3 4 1 58 269.438 5 ↓
Mid Mid (pH 6-8) -0.16 5.86 -9.03 2 4 0 57 268.43 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-amino-1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)propan-2-ol (1R,2S)-1-amino-1-(5-cyclohexyl-…

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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) -1.22 1.58 -47.01 4 5 1 79 239.343 3 ↓
Mid Mid (pH 6-8) -1.22 1.3 -8.84 3 5 0 77 238.335 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-amino-1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)propan-2-ol (1R,2R)-1-amino-1-(5-cyclohexyl-…

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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) -1.22 1.86 -45.84 4 5 1 79 239.343 3 ↓
Mid Mid (pH 6-8) -1.22 1.76 -7.86 3 5 0 77 238.335 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-amino-1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)propan-2-ol (1S,2S)-1-amino-1-(5-cyclohexyl-…

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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) -1.22 1.83 -45.25 4 5 1 79 239.343 3 ↓
Mid Mid (pH 6-8) -1.22 1.68 -9.66 3 5 0 77 238.335 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-amino-1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)propan-2-ol (1S,2R)-1-amino-1-(5-cyclohexyl-…

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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) -1.22 1.58 -46.48 4 5 1 79 239.343 3 ↓
Mid Mid (pH 6-8) -1.22 1.28 -10.45 3 5 0 77 238.335 3 ↓

Analogs

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Popular Name: (1S)-1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-2-methyl-propan-1-amine (1S)-1-(5-cyclohexyl-2-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) 0.17 5.82 -45.5 3 4 1 58 237.371 3 ↓
Hi High (pH 8-9.5) 0.17 4.92 -6.1 2 4 0 57 236.363 3 ↓

Analogs

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Popular Name: (1R)-1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-2-methyl-propan-1-amine (1R)-1-(5-cyclohexyl-2-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) 0.17 5.17 -45.34 3 4 1 58 237.371 3 ↓
Hi High (pH 8-9.5) 0.17 5.48 -7 2 4 0 57 236.363 3 ↓

Analogs

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Popular Name: 3-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)propan-1-amine 3-(5-cyclohexyl-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) 0.81 5.12 -51.92 3 4 1 58 223.344 4 ↓

Analogs

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Popular Name: 1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-N-methyl-methanamine 1-(5-cyclohexyl-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) 1.12 5.51 -45.78 2 4 1 47 209.317 3 ↓
Hi High (pH 8-9.5) 1.12 4.08 -6.52 1 4 0 43 208.309 3 ↓

Analogs

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Popular Name: (1S,2R)-1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-2-methyl-butan-1-amine (1S,2R)-1-(5-cyclohexyl-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) 0.67 6.43 -46.54 3 4 1 58 251.398 4 ↓
Hi High (pH 8-9.5) 0.67 6.11 -6.8 2 4 0 57 250.39 4 ↓

Analogs

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Popular Name: (1S,2S)-1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-2-methyl-butan-1-amine (1S,2S)-1-(5-cyclohexyl-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) 0.67 5.84 -46.81 3 4 1 58 251.398 4 ↓
Hi High (pH 8-9.5) 0.67 5.54 -7.21 2 4 0 57 250.39 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-2-methyl-butan-1-amine (1R,2R)-1-(5-cyclohexyl-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) 0.67 5.81 -46.33 3 4 1 58 251.398 4 ↓
Hi High (pH 8-9.5) 0.67 5.53 -5.88 2 4 0 57 250.39 4 ↓

Analogs

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Popular Name: (1R,2S)-1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-2-methyl-butan-1-amine (1R,2S)-1-(5-cyclohexyl-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) 0.67 6.47 -46.14 3 4 1 58 251.398 4 ↓
Hi High (pH 8-9.5) 0.67 6.14 -5.53 2 4 0 57 250.39 4 ↓

Analogs

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Popular Name: (2S)-2-amino-2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)ethanol (2S)-2-amino-2-(5-cyclohexyl-2-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) -1.58 0.86 -42.57 4 5 1 79 225.316 3 ↓
Mid Mid (pH 6-8) -1.58 0.46 -7.32 3 5 0 77 224.308 3 ↓

Analogs

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Popular Name: (2R)-2-amino-2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)ethanol (2R)-2-amino-2-(5-cyclohexyl-2-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) -1.58 0.88 -42.29 4 5 1 79 225.316 3 ↓
Mid Mid (pH 6-8) -1.58 0.54 -7.46 3 5 0 77 224.308 3 ↓

Analogs

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Popular Name: 5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)pentan-1-amine 5-(5-cyclohexyl-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) 1.59 6.69 -49.35 3 4 1 58 251.398 6 ↓
Lo Low (pH 4.5-6) 1.59 7.25 -87.73 4 4 2 60 252.406 6 ↓

Analogs

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Popular Name: (1S)-1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methyl-butan-1-amine (1S)-1-(5-cyclohexyl-2-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) 0.70 6.22 -46.28 3 4 1 58 251.398 4 ↓
Hi High (pH 8-9.5) 0.70 5.93 -5.9 2 4 0 57 250.39 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methyl-butan-1-amine (1R)-1-(5-cyclohexyl-2-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) 0.70 6.19 -46.08 3 4 1 58 251.398 4 ↓
Hi High (pH 8-9.5) 0.70 5.91 -7.08 2 4 0 57 250.39 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methanamine (5-cyclohexyl-2-methyl-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) 0.74 3.62 -51.37 3 4 1 58 195.29 2 ↓
Mid Mid (pH 6-8) 0.74 3.23 -8.64 2 4 0 57 194.282 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)ethanamine 2-(5-cyclohexyl-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) 0.54 4.33 -53.65 3 4 1 58 209.317 3 ↓
Hi High (pH 8-9.5) 0.54 3.94 -8.01 2 4 0 57 208.309 3 ↓

Parameters Provided:

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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 = 21490 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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