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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: 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-isopropyl-N-(2-methoxyethyl)propanamide 3-(5-cyclohexyl-1,3,4-oxadiazol-…

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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) 1.34 -1.37 -9.61 0 6 0 68 323.437 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide 3-(5-cyclohexyl-1,3,4-oxadiazol-…

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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 -0.31 -8.89 0 5 0 59 305.422 7 ↓

Analogs

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Popular Name: 2-(4-tert-butylcyclohexyl)-5-(chloromethyl)-1,3,4-oxadiazole 2-(4-tert-butylcyclohexyl)-5-(ch…

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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) 2.56 3.94 -6.46 0 3 0 39 256.777 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-tert-butylcyclohexyl)-5-[(1S)-1-chloroethyl]-1,3,4-oxadiazole 2-(4-tert-butylcyclohexyl)-5-[(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) 2.92 5.57 -5.88 0 3 0 39 270.804 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-tert-butylcyclohexyl)-5-[(1R)-1-chloroethyl]-1,3,4-oxadiazole 2-(4-tert-butylcyclohexyl)-5-[(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) 2.92 4.65 -6.27 0 3 0 39 270.804 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-tert-butylcyclohexyl)-5-(2-chloroethyl)-1,3,4-oxadiazole 2-(4-tert-butylcyclohexyl)-5-(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) 2.77 4.73 -5.51 0 3 0 39 270.804 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-tert-butylcyclohexyl)-5-(3-chloropropyl)-1,3,4-oxadiazole 2-(4-tert-butylcyclohexyl)-5-(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) 3.04 5.5 -7.72 0 3 0 39 284.831 5 ↓

Analogs

12480990
12480990

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-amine 5-(4-tert-butylcyclohexyl)-1,3,4…

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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) 2.04 0.74 -6.99 2 4 0 65 223.32 2 ↓

Analogs

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Popular Name: 2-[[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic 2-[[5-(4-tert-butylcyclohexyl)-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) 2.40 4.53 -40.67 0 5 -1 79 297.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]propanoic 3-[5-(4-tert-butylcyclohexyl)-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 4.81 -42.58 0 5 -1 79 279.36 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]butanoic 4-[5-(4-tert-butylcyclohexyl)-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) 1.95 5.59 -47.85 0 5 -1 79 293.387 6 ↓
Lo Low (pH 4.5-6) 1.95 3.62 -12.5 1 5 0 76 294.395 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic 2-[[5-(4-tert-butylcyclohexyl)-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) 1.18 4.01 -49.58 0 6 -1 88 295.359 6 ↓

Analogs

11585592
11585592

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]methanamine [5-(4-tert-butylcyclohexyl)-1,3,…

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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) 1.17 0.73 -48.78 3 4 1 67 238.355 3 ↓
Hi High (pH 8-9.5) 1.17 0.33 -7.01 2 4 0 65 237.347 3 ↓

Analogs

11585890
11585890

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]propan-1-amine 3-[5-(4-tert-butylcyclohexyl)-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) 1.24 2.26 -49.48 3 4 1 67 266.409 5 ↓

Analogs

11585735
11585735

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine 2-[5-(4-tert-butylcyclohexyl)-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) 0.96 1.48 -50.9 3 4 1 67 252.382 4 ↓

Analogs

11586046
11586046
11586047
11586047

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine (1S)-1-[5-(4-tert-butylcyclohexy…

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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) -0.15 1.42 -44.53 3 4 1 67 252.382 3 ↓
Hi High (pH 8-9.5) -0.15 1.08 -6.18 2 4 0 65 251.374 3 ↓

Analogs

11586046
11586046
11586047
11586047

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine (1R)-1-[5-(4-tert-butylcyclohexy…

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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) -0.15 2.32 -43.48 3 4 1 67 252.382 3 ↓
Hi High (pH 8-9.5) -0.15 1.94 -6.31 2 4 0 65 251.374 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]-N-methyl-methanamine 1-[5-(4-tert-butylcyclohexyl)-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) 1.54 2.6 -42.86 2 4 1 56 252.382 4 ↓
Hi High (pH 8-9.5) 1.54 1.16 -5.59 1 4 0 51 251.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine N-[[5-(4-tert-butylcyclohexyl)-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) 1.92 3.46 -41.93 2 4 1 56 266.409 5 ↓
Hi High (pH 8-9.5) 1.92 2.1 -6.06 1 4 0 51 265.401 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine N-[[5-(4-tert-butylcyclohexyl)-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) 2.42 4.21 -42.72 2 4 1 56 280.436 6 ↓
Hi High (pH 8-9.5) 2.42 2.86 -5.97 1 4 0 51 279.428 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine N-[[5-(4-tert-butylcyclohexyl)-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) 2.21 3.99 -40.07 2 4 1 56 280.436 5 ↓
Hi High (pH 8-9.5) 2.21 2.77 -5.95 1 4 0 51 279.428 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-propan-2-amine N-[[5-(4-tert-butylcyclohexyl)-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) 2.73 4.41 -37.53 2 4 1 56 294.463 5 ↓
Hi High (pH 8-9.5) 2.73 3.17 -4.99 1 4 0 51 293.455 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]-N-methyl-propan-1-amine 3-[5-(4-tert-butylcyclohexyl)-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) 2.22 4.14 -44.61 2 4 1 56 280.436 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]-N-ethyl-propan-1-amine 3-[5-(4-tert-butylcyclohexyl)-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) 2.24 4.99 -44.08 2 4 1 56 294.463 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]-N-methyl-ethanamine (1S)-1-[5-(4-tert-butylcyclohexy…

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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) 2.10 4.02 -38.14 2 4 1 56 266.409 4 ↓
Hi High (pH 8-9.5) 2.10 2.7 -5.07 1 4 0 51 265.401 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]-N-methyl-ethanamine (1R)-1-[5-(4-tert-butylcyclohexy…

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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) 2.10 3.09 -39.18 2 4 1 56 266.409 4 ↓
Hi High (pH 8-9.5) 2.10 1.82 -6.19 1 4 0 51 265.401 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]-N-ethyl-ethanamine (1S)-1-[5-(4-tert-butylcyclohexy…

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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) 2.48 4.85 -36.91 2 4 1 56 280.436 5 ↓
Hi High (pH 8-9.5) 2.48 3.67 -5.45 1 4 0 51 279.428 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]-N-ethyl-ethanamine (1R)-1-[5-(4-tert-butylcyclohexy…

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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) 2.48 3.93 -37.9 2 4 1 56 280.436 5 ↓
Hi High (pH 8-9.5) 2.48 2.71 -5.37 1 4 0 51 279.428 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine N-[(1S)-1-[5-(4-tert-butylcycloh…

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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) 2.98 5.62 -37.52 2 4 1 56 294.463 6 ↓
Hi High (pH 8-9.5) 2.98 4.42 -5.3 1 4 0 51 293.455 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine N-[(1R)-1-[5-(4-tert-butylcycloh…

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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) 2.98 4.69 -38.48 2 4 1 56 294.463 6 ↓
Hi High (pH 8-9.5) 2.98 3.47 -5.21 1 4 0 51 293.455 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]-N-methyl-ethanamine 2-[5-(4-tert-butylcyclohexyl)-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) 1.94 3.36 -45.77 2 4 1 56 266.409 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]-N-ethyl-ethanamine 2-[5-(4-tert-butylcyclohexyl)-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) 1.97 4.21 -44.61 2 4 1 56 280.436 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine N-[2-[5-(4-tert-butylcyclohexyl)…

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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) 2.47 4.96 -45.66 2 4 1 56 294.463 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine N-[2-[5-(4-tert-butylcyclohexyl)…

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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) 2.62 4.73 -43.41 2 4 1 56 294.463 6 ↓

Analogs

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Popular Name: 2-[(1S)-1-bromopropyl]-5-cyclohexyl-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-cyclohe…

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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 3.48 -5.57 0 3 0 39 273.174 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-bromopropyl]-5-cyclohexyl-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-cyclohe…

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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 3.47 -5.58 0 3 0 39 273.174 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-bromopropyl]-5-(4-butylcyclohexyl)-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-(4-buty…

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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) 3.98 6.28 -5.43 0 3 0 39 329.282 6 ↓

Analogs

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Popular Name: 2-[(1S)-1-bromopropyl]-5-(4-butylcyclohexyl)-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-(4-buty…

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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) 3.98 6.28 -5.41 0 3 0 39 329.282 6 ↓

Analogs

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Popular Name: 2-[(1S)-1-bromopropyl]-5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-(4-tert…

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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) 3.55 5.47 -5.42 0 3 0 39 329.282 4 ↓

Analogs

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Popular Name: 2-[(1R)-1-bromopropyl]-5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-(4-tert…

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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) 3.55 6.38 -5.09 0 3 0 39 329.282 4 ↓

Analogs

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Popular Name: (1R)-1-[5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1R)-1-[5-(4-butylcyclohexyl)-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) 0.77 3.03 -42.95 3 4 1 67 266.409 6 ↓
Hi High (pH 8-9.5) 0.77 2.71 -4.6 2 4 0 65 265.401 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-1-[5-(4-butylcyclohexyl)-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) 0.77 3.03 -42.92 3 4 1 67 266.409 6 ↓
Hi High (pH 8-9.5) 0.77 2.68 -5.89 2 4 0 65 265.401 6 ↓

Analogs

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Popular Name: (1S)-1-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)propan-1-amine (1S)-1-(5-cyclohexyl-1,3,4-oxadi…

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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 0.24 -42.89 3 4 1 67 210.301 3 ↓
Hi High (pH 8-9.5) -0.75 -0.11 -6.1 2 4 0 65 209.293 3 ↓

Analogs

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Popular Name: (1R)-1-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)propan-1-amine (1R)-1-(5-cyclohexyl-1,3,4-oxadi…

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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 0.23 -42.98 3 4 1 67 210.301 3 ↓
Hi High (pH 8-9.5) -0.75 -0.09 -4.78 2 4 0 65 209.293 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-1-[5-(4-tert-butylcyclohexy…

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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) 0.35 3.14 -42.11 3 4 1 67 266.409 4 ↓
Hi High (pH 8-9.5) 0.35 2.79 -5.37 2 4 0 65 265.401 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1R)-1-[5-(4-tert-butylcyclohexy…

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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) 0.35 2.22 -43.1 3 4 1 67 266.409 4 ↓
Hi High (pH 8-9.5) 0.35 1.9 -4.6 2 4 0 65 265.401 4 ↓

Analogs

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Popular Name: N-carbamoyl-3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide N-carbamoyl-3-[(5-cyclohexyl-1,3…

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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) 0.70 -0.23 -24.3 3 7 0 111 298.368 5 ↓

Analogs

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Popular Name: 3-[5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]propanoic 3-[5-(4-butylcyclohexyl)-1,3,4-o…

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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) 2.10 6.53 -44.2 0 5 -1 79 279.36 7 ↓

Analogs

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Popular Name: 4-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)butanoic 4-(5-cyclohexyl-1,3,4-oxadiazol-…

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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) 0.85 3.6 -48.21 0 5 -1 79 237.279 5 ↓

Analogs

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Popular Name: 4-[5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]butanoic 4-[5-(4-butylcyclohexyl)-1,3,4-o…

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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) 2.37 7.32 -49.12 0 5 -1 79 293.387 8 ↓

Parameters Provided:

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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 = 26458 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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