UCSF
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Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.41 5.35 -97.06 4 5 2 71 290.411 7 ↓
Mid Mid (pH 6-8) 2.41 5.14 -36.9 3 5 1 69 289.403 7 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.41 5.31 -98.74 4 5 2 71 290.411 7 ↓
Mid Mid (pH 6-8) 2.41 5.12 -36.72 3 5 1 69 289.403 7 ↓

Analogs

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Popular Name: (1R)-1-(3-isobutyl-1,2,4-oxadiazol-5-yl)-1-phenyl-ethanamine (1R)-1-(3-isobutyl-1,2,4-oxadiaz…

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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 3.97 -45.68 3 4 1 67 246.334 4 ↓
Mid Mid (pH 6-8) 2.75 3.84 -6.48 2 4 0 65 245.326 4 ↓

Analogs

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Popular Name: (1S)-1-(3-isobutyl-1,2,4-oxadiazol-5-yl)-1-phenyl-ethanamine (1S)-1-(3-isobutyl-1,2,4-oxadiaz…

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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 3.88 -46.17 3 4 1 67 246.334 4 ↓
Mid Mid (pH 6-8) 2.75 3.82 -5.12 2 4 0 65 245.326 4 ↓

Analogs

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Popular Name: (1R)-1-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-phenyl-ethanamine (1R)-1-(3-isopropyl-1,2,4-oxadia…

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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 3.19 -45.64 3 4 1 67 232.307 3 ↓
Mid Mid (pH 6-8) 2.48 2.93 -5.73 2 4 0 65 231.299 3 ↓

Analogs

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Popular Name: (1S)-1-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-phenyl-ethanamine (1S)-1-(3-isopropyl-1,2,4-oxadia…

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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 3.1 -46.28 3 4 1 67 232.307 3 ↓
Mid Mid (pH 6-8) 2.48 2.84 -6.99 2 4 0 65 231.299 3 ↓

Analogs

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Popular Name: (1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-phenyl-ethanamine (1R)-1-(3-ethyl-1,2,4-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) 2.00 2.74 -45.93 3 4 1 67 218.28 3 ↓
Mid Mid (pH 6-8) 2.00 2.47 -6.93 2 4 0 65 217.272 3 ↓

Analogs

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Popular Name: (1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-phenyl-ethanamine (1S)-1-(3-ethyl-1,2,4-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) 2.00 2.65 -46.43 3 4 1 67 218.28 3 ↓
Mid Mid (pH 6-8) 2.00 2.44 -5.53 2 4 0 65 217.272 3 ↓

Analogs

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Popular Name: (1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenyl-ethanamine (1R)-1-(3-methyl-1,2,4-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) 1.43 2.12 -45.99 3 4 1 67 204.253 2 ↓
Mid Mid (pH 6-8) 1.43 1.85 -7.22 2 4 0 65 203.245 2 ↓

Analogs

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Popular Name: (1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenyl-ethanamine (1S)-1-(3-methyl-1,2,4-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) 1.43 2.03 -46.68 3 4 1 67 204.253 2 ↓
Mid Mid (pH 6-8) 1.43 1.83 -5.84 2 4 0 65 203.245 2 ↓

Analogs

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Popular Name: (1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenyl-ethanamine (1R)-1-(3-tert-butyl-1,2,4-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) 3.15 3.74 -45.77 3 4 1 67 246.334 3 ↓
Mid Mid (pH 6-8) 3.15 3.47 -6.89 2 4 0 65 245.326 3 ↓

Analogs

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Popular Name: (1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenyl-ethanamine (1S)-1-(3-tert-butyl-1,2,4-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) 3.15 3.66 -46.45 3 4 1 67 246.334 3 ↓
Mid Mid (pH 6-8) 3.15 3.45 -5.47 2 4 0 65 245.326 3 ↓

Analogs

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Popular Name: (1R)-1-phenyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine (1R)-1-phenyl-1-(3-propyl-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) 2.50 3.51 -45.82 3 4 1 67 232.307 4 ↓
Mid Mid (pH 6-8) 2.50 3.23 -6.62 2 4 0 65 231.299 4 ↓

Analogs

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Popular Name: (1S)-1-phenyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine (1S)-1-phenyl-1-(3-propyl-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) 2.50 3.42 -46.36 3 4 1 67 232.307 4 ↓
Mid Mid (pH 6-8) 2.50 3.21 -5.23 2 4 0 65 231.299 4 ↓

Analogs

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

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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) 2.55 3.02 -47.51 3 4 1 67 272.25 4 ↓
Mid Mid (pH 6-8) 2.55 2.74 -7.84 2 4 0 65 271.242 4 ↓

Analogs

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

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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) 2.55 2.93 -49.98 3 4 1 67 272.25 4 ↓
Mid Mid (pH 6-8) 2.55 2.72 -6.64 2 4 0 65 271.242 4 ↓

Analogs

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Popular Name: (1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-phenyl-ethanamine (1R)-1-[3-(2-methoxyethyl)-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) 1.61 1.8 -47.26 3 5 1 76 248.306 5 ↓
Mid Mid (pH 6-8) 1.61 1.54 -6.76 2 5 0 74 247.298 5 ↓

Analogs

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Popular Name: (1S)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-phenyl-ethanamine (1S)-1-[3-(2-methoxyethyl)-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) 1.61 1.72 -47.55 3 5 1 76 248.306 5 ↓
Mid Mid (pH 6-8) 1.61 1.52 -5.37 2 5 0 74 247.298 5 ↓

Analogs

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Popular Name: (1R)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenyl-ethanamine (1R)-1-[3-(methoxymethyl)-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) 1.40 1.09 -46.27 3 5 1 76 234.279 4 ↓
Mid Mid (pH 6-8) 1.40 0.83 -7.06 2 5 0 74 233.271 4 ↓

Analogs

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Popular Name: (1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenyl-ethanamine (1S)-1-[3-(methoxymethyl)-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) 1.40 1.01 -48.37 3 5 1 76 234.279 4 ↓
Mid Mid (pH 6-8) 1.40 0.75 -8.49 2 5 0 74 233.271 4 ↓

Analogs

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Popular Name: (1R)-1-(3-isopentyl-1,2,4-oxadiazol-5-yl)-1-phenyl-ethanamine (1R)-1-(3-isopentyl-1,2,4-oxadia…

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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) 3.28 4.81 -46.06 3 4 1 67 260.361 5 ↓
Mid Mid (pH 6-8) 3.28 4.53 -6.4 2 4 0 65 259.353 5 ↓

Analogs

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Popular Name: (1S)-1-(3-isopentyl-1,2,4-oxadiazol-5-yl)-1-phenyl-ethanamine (1S)-1-(3-isopentyl-1,2,4-oxadia…

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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) 3.28 4.72 -46.57 3 4 1 67 260.361 5 ↓
Mid Mid (pH 6-8) 3.28 4.51 -5.03 2 4 0 65 259.353 5 ↓

Analogs

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

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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 2.86 -47.43 3 5 1 76 262.333 6 ↓
Mid Mid (pH 6-8) 2.28 2.61 -6.91 2 5 0 74 261.325 6 ↓

Analogs

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

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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 2.78 -46.63 3 5 1 76 262.333 6 ↓
Mid Mid (pH 6-8) 2.28 2.52 -8.18 2 5 0 74 261.325 6 ↓

Analogs

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

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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) 0.82 -0.51 -54.49 3 6 1 101 282.345 4 ↓
Mid Mid (pH 6-8) 0.82 -0.77 -19.97 2 6 0 99 281.337 4 ↓

Analogs

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

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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) 0.82 -0.59 -59 3 6 1 101 282.345 4 ↓
Mid Mid (pH 6-8) 0.82 -0.79 -18.54 2 6 0 99 281.337 4 ↓

Analogs

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Popular Name: 3-(chloromethyl)-5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazole 3-(chloromethyl)-5-[(3-chlorophe…

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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) 3.23 5.36 -7.44 0 3 0 39 243.093 3 ↓

Analogs

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Popular Name: [5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]methanamine [5-[(3-chlorophenyl)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) 1.84 2.17 -46.92 3 4 1 67 224.671 3 ↓
Hi High (pH 8-9.5) 1.84 1.77 -7.56 2 4 0 65 223.663 3 ↓

Analogs

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

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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) 0.52 2.7 -44.99 3 4 1 67 238.698 3 ↓
Hi High (pH 8-9.5) 0.52 2.38 -6.47 2 4 0 65 237.69 3 ↓

Analogs

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

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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) 0.52 2.7 -44.23 3 4 1 67 238.698 3 ↓
Hi High (pH 8-9.5) 0.52 2.38 -7.77 2 4 0 65 237.69 3 ↓

Analogs

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

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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) 1.02 3.51 -43.72 3 4 1 67 252.725 4 ↓
Hi High (pH 8-9.5) 1.02 3.22 -6.21 2 4 0 65 251.717 4 ↓

Analogs

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

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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) 1.02 3.51 -42.9 3 4 1 67 252.725 4 ↓
Hi High (pH 8-9.5) 1.02 3.19 -7.47 2 4 0 65 251.717 4 ↓

Analogs

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

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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 4.27 -44.88 3 4 1 67 266.752 5 ↓
Hi High (pH 8-9.5) 1.58 3.99 -6.14 2 4 0 65 265.744 5 ↓

Analogs

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

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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 4.27 -44.04 3 4 1 67 266.752 5 ↓
Hi High (pH 8-9.5) 1.58 3.96 -7.37 2 4 0 65 265.744 5 ↓

Analogs

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

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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 3.77 -44.2 3 4 1 67 266.752 4 ↓

Analogs

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

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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 4.23 -42.78 3 4 1 67 266.752 4 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.84 4.37 -44.21 3 4 1 67 280.779 4 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.84 4.35 -43.04 3 4 1 67 280.779 4 ↓

Analogs

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Popular Name: 2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine 2-[5-[(3-chlorophenyl)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) 2.84 3.29 -45.83 3 4 1 67 252.725 3 ↓
Hi High (pH 8-9.5) 2.84 3.04 -7.6 2 4 0 65 251.717 3 ↓

Analogs

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Popular Name: 3-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]pentan-3-amine 3-[5-[(3-chlorophenyl)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) 3.85 4.76 -45.06 3 4 1 67 280.779 5 ↓

Analogs

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

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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) 3.34 4.03 -44.39 3 4 1 67 266.752 4 ↓
Hi High (pH 8-9.5) 3.34 3.79 -6.36 2 4 0 65 265.744 4 ↓

Analogs

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

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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) 3.34 3.9 -43.26 3 4 1 67 266.752 4 ↓
Hi High (pH 8-9.5) 3.34 3.65 -7.41 2 4 0 65 265.744 4 ↓

Analogs

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Popular Name: 2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine 2-[5-[(3-chlorophenyl)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) 1.63 2.88 -49.3 3 4 1 67 238.698 4 ↓

Analogs

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Popular Name: 1-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methyl-methanamine 1-[5-[(3-chlorophenyl)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) 2.21 4.04 -42.04 2 4 1 56 238.698 4 ↓
Hi High (pH 8-9.5) 2.21 2.6 -7.6 1 4 0 51 237.69 4 ↓

Analogs

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Popular Name: 2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methyl-ethanamine 2-[5-[(3-chlorophenyl)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) 2.62 4.76 -45.21 2 4 1 56 252.725 5 ↓

Analogs

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Popular Name: N-[[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine N-[[5-[(3-chlorophenyl)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) 2.58 4.9 -41.05 2 4 1 56 252.725 5 ↓
Hi High (pH 8-9.5) 2.58 3.53 -7.43 1 4 0 51 251.717 5 ↓

Analogs

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Popular Name: N-[[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine N-[[5-[(3-chlorophenyl)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) 2.88 5.43 -39.07 2 4 1 56 266.752 5 ↓
Hi High (pH 8-9.5) 2.88 4.23 -7.24 1 4 0 51 265.744 5 ↓

Analogs

44652456
44652456
53133382
53133382
53140975
53140975
53145798
53145798

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Popular Name: 4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]aniline 4-[(3-ethyl-1,2,4-oxadiazol-5-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) 1.63 2.98 -7.75 2 4 0 65 203.245 3 ↓

Analogs

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Popular Name: (2S)-1-[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine (2S)-1-[5-[(4-bromophenyl)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) 2.19 3.72 -42.77 3 4 1 67 297.176 4 ↓

Analogs

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Popular Name: (2R)-1-[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine (2R)-1-[5-[(4-bromophenyl)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) 2.19 3.59 -39.92 3 4 1 67 297.176 4 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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