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Analogs

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Popular Name: 5-(2-chloroethyl)-3-(1-phenylcyclopropyl)-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) 2.83 7.58 -6.59 0 3 0 39 248.713 4 ↓

Analogs

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Popular Name: 5-[(1S)-1-chloroethyl]-3-(1-phenylcyclopropyl)-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) 2.99 7.47 -6.86 0 3 0 39 248.713 3 ↓

Analogs

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Popular Name: 5-[(1R)-1-chloroethyl]-3-(1-phenylcyclopropyl)-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) 2.99 7.47 -6.95 0 3 0 39 248.713 3 ↓

Analogs

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Popular Name: 5-(3-chloropropyl)-3-(1-phenylcyclopropyl)-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) 3.10 8.35 -8.92 0 3 0 39 262.74 5 ↓

Analogs

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Popular Name: 5-[(1S)-1-bromopropyl]-3-(1-phenylcyclopropyl)-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) 3.62 8.26 -6.03 0 3 0 39 307.191 4 ↓

Analogs

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Popular Name: 5-[(1R)-1-bromopropyl]-3-(1-phenylcyclopropyl)-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) 3.62 8.26 -6.17 0 3 0 39 307.191 4 ↓

Analogs

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Popular Name: 3-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine 3-[3-(1-phenylcyclopropyl)-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) 1.30 5.1 -51.4 3 4 1 67 244.318 5 ↓

Analogs

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

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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) 1.61 5.44 -45.86 2 4 1 56 230.291 4 ↓
Hi High (pH 8-9.5) 1.61 4 -7.09 1 4 0 51 229.283 4 ↓

Analogs

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

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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) 1.16 6.23 -49.06 3 4 1 67 272.372 5 ↓
Hi High (pH 8-9.5) 1.16 5.92 -7.03 2 4 0 65 271.364 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.16 6.17 -49.58 3 4 1 67 272.372 5 ↓
Hi High (pH 8-9.5) 1.16 5.85 -6.96 2 4 0 65 271.364 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.16 6.15 -48.9 3 4 1 67 272.372 5 ↓
Hi High (pH 8-9.5) 1.16 5.88 -5.65 2 4 0 65 271.364 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.16 6.25 -48.32 3 4 1 67 272.372 5 ↓
Hi High (pH 8-9.5) 1.16 5.94 -5.67 2 4 0 65 271.364 5 ↓

Analogs

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Popular Name: (2R)-2-amino-2-[3-(1-phenylcyclopropyl)-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) -1.09 0.94 -44.97 4 5 1 87 246.29 4 ↓
Mid Mid (pH 6-8) -1.09 0.59 -7.6 3 5 0 85 245.282 4 ↓

Analogs

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Popular Name: (2S)-2-amino-2-[3-(1-phenylcyclopropyl)-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) -1.09 0.94 -45.36 4 5 1 87 246.29 4 ↓
Mid Mid (pH 6-8) -1.09 0.54 -7.4 3 5 0 85 245.282 4 ↓

Analogs

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Popular Name: 5-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine 5-[3-(1-phenylcyclopropyl)-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) 2.08 6.67 -48.42 3 4 1 67 272.372 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-3-methyl-1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (1S)-3-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) 1.19 6.27 -49.28 3 4 1 67 272.372 5 ↓
Hi High (pH 8-9.5) 1.19 5.97 -6.94 2 4 0 65 271.364 5 ↓

Analogs

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Popular Name: (1R)-3-methyl-1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (1R)-3-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) 1.19 6.27 -48.62 3 4 1 67 272.372 5 ↓
Hi High (pH 8-9.5) 1.19 5.99 -5.63 2 4 0 65 271.364 5 ↓

Analogs

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Popular Name: [3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]methanamine [3-(1-phenylcyclopropyl)-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) 1.23 3.57 -52.56 3 4 1 67 216.264 3 ↓
Hi High (pH 8-9.5) 1.23 3.16 -7.81 2 4 0 65 215.256 3 ↓

Analogs

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Popular Name: 2-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine 2-[3-(1-phenylcyclopropyl)-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) 1.03 4.32 -53.31 3 4 1 67 230.291 4 ↓

Analogs

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

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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) -0.09 4.21 -49.43 3 4 1 67 230.291 3 ↓
Hi High (pH 8-9.5) -0.09 3.86 -7.55 2 4 0 65 229.283 3 ↓

Analogs

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

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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) -0.09 4.21 -48.95 3 4 1 67 230.291 3 ↓
Hi High (pH 8-9.5) -0.09 3.87 -7.46 2 4 0 65 229.283 3 ↓

Analogs

53129505
53129505

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

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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) 2.28 6.98 -46.53 2 4 1 56 258.345 6 ↓

Analogs

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Popular Name: 6-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine 6-[3-(1-phenylcyclopropyl)-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) 2.58 7.45 -47.74 3 4 1 67 286.399 8 ↓

Analogs

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

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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) 0.33 6.24 -53.78 3 4 1 67 290.412 6 ↓
Hi High (pH 8-9.5) 0.33 5.94 -7.41 2 4 0 65 289.404 6 ↓

Analogs

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

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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) 0.33 6.24 -53.07 3 4 1 67 290.412 6 ↓
Hi High (pH 8-9.5) 0.33 5.91 -8.7 2 4 0 65 289.404 6 ↓

Analogs

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Popular Name: (1S,2S)-1-amino-1-[3-(1-phenylcyclopropyl)-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) -0.73 1.71 -52.96 4 5 1 87 260.317 4 ↓
Mid Mid (pH 6-8) -0.73 1.43 -8.17 3 5 0 85 259.309 4 ↓

Analogs

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Popular Name: (1S,2R)-1-amino-1-[3-(1-phenylcyclopropyl)-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) -0.73 2.14 -53.22 4 5 1 87 260.317 4 ↓
Mid Mid (pH 6-8) -0.73 1.87 -8.15 3 5 0 85 259.309 4 ↓

Analogs

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Popular Name: (1R,2S)-1-amino-1-[3-(1-phenylcyclopropyl)-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) -0.73 2.05 -52.46 4 5 1 87 260.317 4 ↓
Mid Mid (pH 6-8) -0.73 1.71 -9.68 3 5 0 85 259.309 4 ↓

Analogs

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Popular Name: (1R,2R)-1-amino-1-[3-(1-phenylcyclopropyl)-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) -0.73 1.71 -52.19 4 5 1 87 260.317 4 ↓
Mid Mid (pH 6-8) -0.73 1.39 -9.71 3 5 0 85 259.309 4 ↓

Analogs

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Popular Name: (1S)-2-methyl-1-[3-(1-phenylcyclopropyl)-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) 0.66 5.61 -47.78 3 4 1 67 258.345 4 ↓
Hi High (pH 8-9.5) 0.66 5.33 -5.83 2 4 0 65 257.337 4 ↓

Analogs

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Popular Name: (1R)-2-methyl-1-[3-(1-phenylcyclopropyl)-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) 0.66 5.5 -47.88 3 4 1 67 258.345 4 ↓
Hi High (pH 8-9.5) 0.66 5.19 -7.18 2 4 0 65 257.337 4 ↓

Analogs

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

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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) 0.42 5.02 -47.95 3 4 1 67 244.318 4 ↓
Hi High (pH 8-9.5) 0.42 4.72 -5.94 2 4 0 65 243.31 4 ↓

Analogs

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

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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) 0.42 5.02 -47.42 3 4 1 67 244.318 4 ↓
Hi High (pH 8-9.5) 0.42 4.69 -7.21 2 4 0 65 243.31 4 ↓

Analogs

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

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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 6 -48.31 3 4 1 67 272.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 5.98 -47.48 3 4 1 67 272.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.48 6.56 -49.89 3 4 1 67 272.372 6 ↓
Hi High (pH 8-9.5) 1.48 6.27 -5.87 2 4 0 65 271.364 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.48 6.56 -49.27 3 4 1 67 272.372 6 ↓
Hi High (pH 8-9.5) 1.48 6.23 -7.04 2 4 0 65 271.364 6 ↓

Analogs

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

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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) 3.30 6.21 -45.94 3 4 1 67 272.372 5 ↓
Hi High (pH 8-9.5) 3.30 6 -5.49 2 4 0 65 271.364 5 ↓

Analogs

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

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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) 3.30 6.2 -46.04 3 4 1 67 272.372 5 ↓
Hi High (pH 8-9.5) 3.30 5.93 -7.05 2 4 0 65 271.364 5 ↓

Analogs

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

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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) 0.98 5.79 -49.3 3 4 1 67 258.345 5 ↓
Hi High (pH 8-9.5) 0.98 5.45 -7.02 2 4 0 65 257.337 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.98 5.78 -48.76 3 4 1 67 258.345 5 ↓
Hi High (pH 8-9.5) 0.98 5.49 -5.79 2 4 0 65 257.337 5 ↓

Analogs

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Popular Name: N-[[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine N-[[3-(1-phenylcyclopropyl)-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) 2.28 6.83 -42.86 2 4 1 56 258.345 5 ↓
Hi High (pH 8-9.5) 2.28 5.6 -6.75 1 4 0 51 257.337 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine N-[2-[3-(1-phenylcyclopropyl)-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) 2.69 7.58 -45.98 2 4 1 56 272.372 6 ↓

Analogs

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Popular Name: N-isopropyl-3-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine N-isopropyl-3-[3-(1-phenylcyclop…

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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) 2.96 8.36 -44.99 2 4 1 56 286.399 7 ↓

Analogs

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

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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 8.01 -44.77 2 4 1 56 286.399 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.82 7.64 -42.87 2 4 1 56 272.372 6 ↓
Hi High (pH 8-9.5) 2.82 6.58 -6.45 1 4 0 51 271.364 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.82 7.63 -42.93 2 4 1 56 272.372 6 ↓
Hi High (pH 8-9.5) 2.82 6.42 -6.42 1 4 0 51 271.364 6 ↓

Analogs

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

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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 7.05 -47.07 2 4 1 56 258.345 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-4-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine 2-methyl-4-[3-(1-phenylcycloprop…

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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) 2.72 6.06 -47.18 3 4 1 67 272.372 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-[3-(1-phenylcyclopropyl)-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) 2.17 5.92 -43.5 2 4 1 56 244.318 4 ↓
Hi High (pH 8-9.5) 2.17 4.61 -6.36 1 4 0 51 243.31 4 ↓

Parameters Provided:

ring.id = 271089
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 = 271089 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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