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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: 5-(chloromethyl)-3-(1-phenylcyclopentyl)-1,2,4-oxadiazole 5-(chloromethyl)-3-(1-phenylcycl…

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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) 3.66 6.88 -7.84 0 3 0 39 262.74 3 ↓

Analogs

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Popular Name: 5-(2-chloroethyl)-3-(1-phenylcyclopentyl)-1,2,4-oxadiazole 5-(2-chloroethyl)-3-(1-phenylcyc…

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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) 3.87 7.67 -6.72 0 3 0 39 276.767 4 ↓

Analogs

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Popular Name: 5-[(1S)-1-chloroethyl]-3-(1-phenylcyclopentyl)-1,2,4-oxadiazole 5-[(1S)-1-chloroethyl]-3-(1-phen…

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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) 4.02 7.48 -6.88 0 3 0 39 276.767 3 ↓

Analogs

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Popular Name: 5-[(1R)-1-chloroethyl]-3-(1-phenylcyclopentyl)-1,2,4-oxadiazole 5-[(1R)-1-chloroethyl]-3-(1-phen…

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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) 4.02 7.48 -7 0 3 0 39 276.767 3 ↓

Analogs

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Popular Name: 5-(3-chloropropyl)-3-(1-phenylcyclopentyl)-1,2,4-oxadiazole 5-(3-chloropropyl)-3-(1-phenylcy…

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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) 4.14 8.44 -9.07 0 3 0 39 290.794 5 ↓

Analogs

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

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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) 4.66 8.28 -6.07 0 3 0 39 335.245 4 ↓

Analogs

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

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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) 4.66 8.41 -6.24 0 3 0 39 335.245 4 ↓

Analogs

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Popular Name: (1S)-2-methyl-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (1S)-2-methyl-1-[3-(1-phenylcycl…

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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) 1.69 5.62 -46.4 3 4 1 67 286.399 4 ↓
Hi High (pH 8-9.5) 1.69 5.18 -5.93 2 4 0 65 285.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-methyl-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (1R)-2-methyl-1-[3-(1-phenylcycl…

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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) 1.69 5.5 -47.37 3 4 1 67 286.399 4 ↓
Hi High (pH 8-9.5) 1.69 5.28 -7.4 2 4 0 65 285.391 4 ↓

Analogs

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Popular Name: 3-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine 3-[3-(1-phenylcyclopentyl)-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) 2.34 5.2 -50.72 3 4 1 67 272.372 5 ↓

Analogs

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Popular Name: N-methyl-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine N-methyl-1-[3-(1-phenylcyclopent…

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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) 2.64 5.59 -45.32 2 4 1 56 258.345 4 ↓
Hi High (pH 8-9.5) 2.64 4.14 -7.27 1 4 0 51 257.337 4 ↓

Analogs

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Popular Name: (2R)-2-amino-2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanol (2R)-2-amino-2-[3-(1-phenylcyclo…

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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) -0.06 0.88 -44.49 4 5 1 87 274.344 4 ↓
Mid Mid (pH 6-8) -0.06 0.48 -7.59 3 5 0 85 273.336 4 ↓

Analogs

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Popular Name: (2S)-2-amino-2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanol (2S)-2-amino-2-[3-(1-phenylcyclo…

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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) -0.06 0.88 -44.32 4 5 1 87 274.344 4 ↓
Mid Mid (pH 6-8) -0.06 0.54 -7.6 3 5 0 85 273.336 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine [3-(1-phenylcyclopentyl)-1,2,4-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) 2.27 3.66 -51.49 3 4 1 67 244.318 3 ↓
Hi High (pH 8-9.5) 2.27 3.26 -7.89 2 4 0 65 243.31 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine 2-[3-(1-phenylcyclopentyl)-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) 2.07 4.42 -52.49 3 4 1 67 258.345 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.95 4.21 -48.15 3 4 1 67 258.345 3 ↓
Hi High (pH 8-9.5) 0.95 3.87 -7.73 2 4 0 65 257.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.95 4.35 -48.19 3 4 1 67 258.345 3 ↓
Hi High (pH 8-9.5) 0.95 4.02 -7.63 2 4 0 65 257.337 3 ↓

Analogs

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Popular Name: (1S,2S)-1-amino-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (1S,2S)-1-amino-1-[3-(1-phenylcy…

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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) 0.30 1.86 -49.65 4 5 1 87 288.371 4 ↓
Mid Mid (pH 6-8) 0.30 1.53 -9.91 3 5 0 85 287.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-amino-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (1S,2R)-1-amino-1-[3-(1-phenylcy…

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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) 0.30 1.96 -46.11 4 5 1 87 288.371 4 ↓
Mid Mid (pH 6-8) 0.30 1.82 -9.89 3 5 0 85 287.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-amino-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (1R,2S)-1-amino-1-[3-(1-phenylcy…

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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) 0.30 2 -45.76 4 5 1 87 288.371 4 ↓
Mid Mid (pH 6-8) 0.30 1.9 -8.28 3 5 0 85 287.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-amino-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (1R,2R)-1-amino-1-[3-(1-phenylcy…

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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) 0.30 1.86 -49.38 4 5 1 87 288.371 4 ↓
Mid Mid (pH 6-8) 0.30 1.58 -8.13 3 5 0 85 287.363 4 ↓

Analogs

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

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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 5.14 -44.55 3 4 1 67 272.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 5.2 -43.55 3 4 1 67 272.372 4 ↓

Analogs

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

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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) 1.45 5.02 -46.71 3 4 1 67 272.372 4 ↓
Hi High (pH 8-9.5) 1.45 4.69 -7.26 2 4 0 65 271.364 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.45 5.03 -46.9 3 4 1 67 272.372 4 ↓
Hi High (pH 8-9.5) 1.45 4.72 -6.02 2 4 0 65 271.364 4 ↓

Analogs

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Popular Name: (1S)-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (1S)-1-[3-(1-phenylcyclopentyl)-…

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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) 2.01 5.79 -47.99 3 4 1 67 286.399 5 ↓
Hi High (pH 8-9.5) 2.01 5.5 -5.99 2 4 0 65 285.391 5 ↓

Analogs

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Popular Name: (1R)-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (1R)-1-[3-(1-phenylcyclopentyl)-…

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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) 2.01 5.79 -48.18 3 4 1 67 286.399 5 ↓
Hi High (pH 8-9.5) 2.01 5.45 -7.28 2 4 0 65 285.391 5 ↓

Analogs

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Popular Name: N-[[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine N-[[3-(1-phenylcyclopentyl)-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) 3.31 6.98 -42.26 2 4 1 56 286.399 5 ↓
Hi High (pH 8-9.5) 3.31 5.77 -6.87 1 4 0 51 285.391 5 ↓

Analogs

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Popular Name: N-ethyl-2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine N-ethyl-2-[3-(1-phenylcyclopenty…

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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) 3.07 7.2 -46.31 2 4 1 56 286.399 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.20 5.91 -42.33 2 4 1 56 272.372 4 ↓
Hi High (pH 8-9.5) 3.20 4.62 -6.52 1 4 0 51 271.364 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.20 5.91 -42.51 2 4 1 56 272.372 4 ↓
Hi High (pH 8-9.5) 3.20 4.65 -7.63 1 4 0 51 271.364 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 4.97 -52.14 3 4 1 67 272.372 4 ↓

Analogs

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

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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 4.97 -51.92 3 4 1 67 272.372 4 ↓

Analogs

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Popular Name: N-methyl-2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-amine N-methyl-2-[3-(1-phenylcyclopent…

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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) 3.65 6.56 -40.39 2 4 1 56 286.399 4 ↓
Hi High (pH 8-9.5) 3.65 5.24 -7.08 1 4 0 51 285.391 4 ↓

Analogs

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Popular Name: (3R)-3-amino-3-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol (3R)-3-amino-3-[3-(1-phenylcyclo…

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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) 0.21 1.62 -51.25 4 5 1 87 288.371 5 ↓
Hi High (pH 8-9.5) 0.21 1.28 -9.87 3 5 0 85 287.363 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-amino-3-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol (3S)-3-amino-3-[3-(1-phenylcyclo…

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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) 0.21 1.63 -51.04 4 5 1 87 288.371 5 ↓
Hi High (pH 8-9.5) 0.21 1.32 -8.4 3 5 0 85 287.363 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-amine 2-[3-(1-phenylcyclopentyl)-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) 3.27 4.72 -44.68 3 4 1 67 272.372 3 ↓
Hi High (pH 8-9.5) 3.27 4.48 -7.71 2 4 0 65 271.364 3 ↓

Analogs

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Popular Name: N-[[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine N-[[3-(1-phenylcyclopentyl)-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) 3.02 6.45 -44.34 2 4 1 56 272.372 5 ↓
Hi High (pH 8-9.5) 3.02 5.08 -7.09 1 4 0 51 271.364 5 ↓

Analogs

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Popular Name: N-[[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine N-[[3-(1-phenylcyclopentyl)-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) 3.52 7.2 -45.29 2 4 1 56 286.399 6 ↓
Hi High (pH 8-9.5) 3.52 5.84 -6.94 1 4 0 51 285.391 6 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (1S)-N-methyl-1-[3-(1-phenylcycl…

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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) 3.70 6.73 -41.39 2 4 1 56 286.399 5 ↓
Hi High (pH 8-9.5) 3.70 5.21 -6.46 1 4 0 51 285.391 5 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (1R)-N-methyl-1-[3-(1-phenylcycl…

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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) 3.70 6.89 -41.42 2 4 1 56 286.399 5 ↓
Hi High (pH 8-9.5) 3.70 5.37 -7.39 1 4 0 51 285.391 5 ↓

Analogs

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Popular Name: N-methyl-2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine N-methyl-2-[3-(1-phenylcyclopent…

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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) 3.05 6.35 -47.4 2 4 1 56 272.372 5 ↓

Analogs

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Popular Name: 3-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanoic 3-[3-(1-phenylcyclopentyl)-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) 2.78 7.75 -45.37 0 5 -1 79 285.323 5 ↓

Analogs

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Popular Name: 2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]acetic 2-[3-(1-phenylcyclopentyl)-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) 2.51 6.94 -51.11 0 5 -1 79 271.296 4 ↓

Analogs

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Popular Name: 3-(1-phenylcyclopentyl)-4H-1,2,4-oxadiazol-5-one 3-(1-phenylcyclopentyl)-4H-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) 2.75 3.78 -49.05 0 4 -1 62 229.259 2 ↓
Lo Low (pH 4.5-6) 2.29 6.39 -8.16 1 4 0 59 230.267 2 ↓

Analogs

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Popular Name: 5-chloro-3-(1-phenylcyclopentyl)-1,2,4-oxadiazole 5-chloro-3-(1-phenylcyclopentyl)…

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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) 3.65 6.05 -4.89 0 3 0 39 248.713 2 ↓

Analogs

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Popular Name: 3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-amine 3-(1-phenylcyclopentyl)-1,2,4-ox…

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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) 2.45 3.68 -8.61 2 4 0 65 229.283 2 ↓

Analogs

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Popular Name: N-methyl-3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-amine N-methyl-3-(1-phenylcyclopentyl)…

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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) 2.83 5.03 -8.69 1 4 0 51 243.31 3 ↓

Analogs

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Popular Name: N-ethyl-3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-amine N-ethyl-3-(1-phenylcyclopentyl)-…

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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) 3.20 5.89 -7.87 1 4 0 51 257.337 4 ↓

Analogs

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Popular Name: 3-(1-phenylcyclopentyl)-N-propyl-1,2,4-oxadiazol-5-amine 3-(1-phenylcyclopentyl)-N-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) 3.70 6.65 -7.57 1 4 0 51 271.364 5 ↓

Parameters Provided:

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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 = 271540 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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