UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[(3,4-dimethoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole 5-[(3,4-dimethoxyphenyl)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) 4.53 2.9 -12.38 0 5 0 57 364.323 6 ↓

Analogs

34959570
34959570

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Popular Name: 5-[(2-methoxyphenyl)methyl]-3-(m-tolyl)-1,2,4-oxadiazole 5-[(2-methoxyphenyl)methyl]-3-(m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.44 0.8 -8.61 0 4 0 48 280.327 4 ↓

Analogs

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Popular Name: (1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenyl-ethanamine (1R)-1-[3-(4-chlorophenyl)-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) 4.13 5.7 -48.23 3 4 1 67 300.769 3 ↓
Mid Mid (pH 6-8) 4.13 5.44 -6.47 2 4 0 65 299.761 3 ↓

Analogs

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Popular Name: (1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenyl-ethanamine (1S)-1-[3-(4-chlorophenyl)-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) 4.13 5.71 -48.24 3 4 1 67 300.769 3 ↓
Mid Mid (pH 6-8) 4.13 5.44 -5.55 2 4 0 65 299.761 3 ↓

Analogs

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Popular Name: (1R)-1-phenyl-1-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]ethanamine (1R)-1-phenyl-1-[3-(p-tolyl)-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) 3.90 5.86 -47.17 3 4 1 67 280.351 3 ↓
Mid Mid (pH 6-8) 3.90 5.61 -6.97 2 4 0 65 279.343 3 ↓

Analogs

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Popular Name: (1S)-1-phenyl-1-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]ethanamine (1S)-1-phenyl-1-[3-(p-tolyl)-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) 3.90 5.87 -47.15 3 4 1 67 280.351 3 ↓
Mid Mid (pH 6-8) 3.90 5.57 -8.12 2 4 0 65 279.343 3 ↓

Analogs

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Popular Name: (1R)-1-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine (1R)-1-phenyl-1-(3-phenyl-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) 3.46 5.19 -47.27 3 4 1 67 266.324 3 ↓
Mid Mid (pH 6-8) 3.46 4.91 -8.37 2 4 0 65 265.316 3 ↓

Analogs

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Popular Name: (1S)-1-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine (1S)-1-phenyl-1-(3-phenyl-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) 3.46 5.19 -47.24 3 4 1 67 266.324 3 ↓
Mid Mid (pH 6-8) 3.46 4.92 -7.24 2 4 0 65 265.316 3 ↓

Analogs

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Popular Name: (1R)-1-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]-1-phenyl-ethanamine (1R)-1-[3-(o-tolyl)-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) 3.86 5.7 -46.87 3 4 1 67 280.351 3 ↓
Mid Mid (pH 6-8) 3.86 5.45 -7.29 2 4 0 65 279.343 3 ↓

Analogs

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Popular Name: (1S)-1-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]-1-phenyl-ethanamine (1S)-1-[3-(o-tolyl)-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) 3.86 5.7 -48.3 3 4 1 67 280.351 3 ↓
Mid Mid (pH 6-8) 3.86 5.44 -8.47 2 4 0 65 279.343 3 ↓

Analogs

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Popular Name: (1R)-1-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-1-phenyl-ethanamine (1R)-1-[3-(m-tolyl)-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) 3.88 5.86 -47.36 3 4 1 67 280.351 3 ↓
Mid Mid (pH 6-8) 3.88 5.6 -7.22 2 4 0 65 279.343 3 ↓

Analogs

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Popular Name: (1S)-1-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-1-phenyl-ethanamine (1S)-1-[3-(m-tolyl)-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) 3.88 5.85 -47.29 3 4 1 67 280.351 3 ↓
Mid Mid (pH 6-8) 3.88 5.57 -8.37 2 4 0 65 279.343 3 ↓

Analogs

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Popular Name: (1R)-1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-phenyl-ethanamine (1R)-1-[3-(3-bromophenyl)-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) 4.24 5.79 -49.62 3 4 1 67 345.22 3 ↓
Mid Mid (pH 6-8) 4.24 5.54 -7 2 4 0 65 344.212 3 ↓

Analogs

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Popular Name: (1S)-1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-phenyl-ethanamine (1S)-1-[3-(3-bromophenyl)-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) 4.24 5.8 -49.62 3 4 1 67 345.22 3 ↓
Mid Mid (pH 6-8) 4.24 5.51 -7.82 2 4 0 65 344.212 3 ↓

Analogs

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Popular Name: (1R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenyl-ethanamine (1R)-1-[3-(3-chlorophenyl)-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) 4.11 5.7 -49.62 3 4 1 67 300.769 3 ↓
Mid Mid (pH 6-8) 4.11 5.43 -7.04 2 4 0 65 299.761 3 ↓

Analogs

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Popular Name: (1S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenyl-ethanamine (1S)-1-[3-(3-chlorophenyl)-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) 4.11 5.7 -49.6 3 4 1 67 300.769 3 ↓
Mid Mid (pH 6-8) 4.11 5.41 -7.89 2 4 0 65 299.761 3 ↓

Analogs

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Popular Name: (1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-phenyl-ethanamine (1R)-1-[3-(4-bromophenyl)-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) 4.26 5.8 -48.2 3 4 1 67 345.22 3 ↓
Mid Mid (pH 6-8) 4.26 5.54 -6.37 2 4 0 65 344.212 3 ↓

Analogs

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Popular Name: (1S)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-phenyl-ethanamine (1S)-1-[3-(4-bromophenyl)-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) 4.26 5.81 -48.19 3 4 1 67 345.22 3 ↓
Mid Mid (pH 6-8) 4.26 5.55 -5.45 2 4 0 65 344.212 3 ↓

Analogs

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Popular Name: (1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenyl-ethanamine (1R)-1-[3-(4-fluorophenyl)-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) 3.62 5.26 -48.8 3 4 1 67 284.314 3 ↓
Mid Mid (pH 6-8) 3.62 4.97 -6.71 2 4 0 65 283.306 3 ↓

Analogs

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Popular Name: (1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenyl-ethanamine (1S)-1-[3-(4-fluorophenyl)-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) 3.62 5.26 -48.71 3 4 1 67 284.314 3 ↓
Mid Mid (pH 6-8) 3.62 4.99 -5.79 2 4 0 65 283.306 3 ↓

Analogs

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Popular Name: (1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenyl-ethanamine (1R)-1-[3-(3-fluorophenyl)-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) 3.60 5.26 -50.59 3 4 1 67 284.314 3 ↓
Mid Mid (pH 6-8) 3.60 4.97 -8.47 2 4 0 65 283.306 3 ↓

Analogs

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Popular Name: (1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenyl-ethanamine (1S)-1-[3-(3-fluorophenyl)-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) 3.60 5.26 -50.56 3 4 1 67 284.314 3 ↓
Mid Mid (pH 6-8) 3.60 4.99 -7.69 2 4 0 65 283.306 3 ↓

Analogs

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Popular Name: (1R)-1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-phenyl-ethanamine (1R)-1-[3-(2-bromophenyl)-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) 4.22 5.99 -48.74 3 4 1 67 345.22 3 ↓
Mid Mid (pH 6-8) 4.22 5.74 -8.36 2 4 0 65 344.212 3 ↓

Analogs

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Popular Name: (1S)-1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-phenyl-ethanamine (1S)-1-[3-(2-bromophenyl)-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) 4.22 6 -48.75 3 4 1 67 345.22 3 ↓
Mid Mid (pH 6-8) 4.22 5.72 -9.31 2 4 0 65 344.212 3 ↓

Analogs

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Popular Name: (1R)-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenyl-ethanamine (1R)-1-[3-(2-chlorophenyl)-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) 4.08 5.84 -49.13 3 4 1 67 300.769 3 ↓
Mid Mid (pH 6-8) 4.08 5.59 -8.63 2 4 0 65 299.761 3 ↓

Analogs

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Popular Name: (1S)-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenyl-ethanamine (1S)-1-[3-(2-chlorophenyl)-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) 4.08 5.85 -49.14 3 4 1 67 300.769 3 ↓
Mid Mid (pH 6-8) 4.08 5.56 -9.58 2 4 0 65 299.761 3 ↓

Analogs

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Popular Name: 3-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol 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) 4.16 5.11 -10.43 1 4 0 59 286.718 3 ↓

Analogs

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Popular Name: 4-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline 4-[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) 3.74 5.85 -9.68 2 4 0 65 285.734 3 ↓

Analogs

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Popular Name: 3-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline 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) 3.71 5.85 -9.45 2 4 0 65 285.734 3 ↓

Analogs

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Popular Name: 2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline 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) 4.10 5.98 -9.27 2 4 0 65 285.734 3 ↓

Analogs

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Popular Name: 5-[(S)-chloro(phenyl)methyl]-3-(2-fluorophenyl)-1,2,4-oxadiazole 5-[(S)-chloro(phenyl)methyl]-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) 4.32 7.99 -10.96 0 3 0 39 288.709 3 ↓

Analogs

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Popular Name: 5-[(R)-chloro(phenyl)methyl]-3-(2-fluorophenyl)-1,2,4-oxadiazole 5-[(R)-chloro(phenyl)methyl]-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) 4.32 7.99 -10.94 0 3 0 39 288.709 3 ↓

Analogs

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Popular Name: 2-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline 2-[[3-(2-fluorophenyl)-1,2,4-oxa…

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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) 3.56 5.56 -11.31 2 4 0 65 269.279 3 ↓

Analogs

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Popular Name: (1R)-1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenyl-ethanamine (1R)-1-[3-(2-fluorophenyl)-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) 3.57 5.33 -50.83 3 4 1 67 284.314 3 ↓
Mid Mid (pH 6-8) 3.57 5.06 -10.23 2 4 0 65 283.306 3 ↓

Analogs

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Popular Name: (1S)-1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenyl-ethanamine (1S)-1-[3-(2-fluorophenyl)-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) 3.57 5.33 -50.78 3 4 1 67 284.314 3 ↓
Mid Mid (pH 6-8) 3.57 5.03 -11.23 2 4 0 65 283.306 3 ↓

Analogs

37009606
37009606
37009607
37009607

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Popular Name: 5-[(3,4-dichlorophenyl)methyl]-3-(o-tolyl)-1,2,4-oxadiazole 5-[(3,4-dichlorophenyl)methyl]-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) 5.69 9.43 -9.17 0 3 0 39 319.191 3 ↓

Analogs

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Popular Name: 3-(3-chloro-4-fluoro-phenyl)-5-[(S)-chloro(phenyl)methyl]-1,2,4-oxadiazole 3-(3-chloro-4-fluoro-phenyl)-5-[…

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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) 4.97 8.41 -6.98 0 3 0 39 323.154 3 ↓

Analogs

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Popular Name: 3-(3-chloro-4-fluoro-phenyl)-5-[(R)-chloro(phenyl)methyl]-1,2,4-oxadiazole 3-(3-chloro-4-fluoro-phenyl)-5-[…

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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) 4.97 8.41 -6.94 0 3 0 39 323.154 3 ↓

Analogs

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Popular Name: (S)-[3-(3-chloro-4-fluoro-phenyl)-1,2,4-oxadiazol-5-yl]-phenyl-methanamine (S)-[3-(3-chloro-4-fluoro-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) 3.78 5.28 -52.63 3 4 1 67 304.732 3 ↓
Mid Mid (pH 6-8) 3.78 4.96 -6.67 2 4 0 65 303.724 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[3-(3-chloro-4-fluoro-phenyl)-1,2,4-oxadiazol-5-yl]-phenyl-methanamine (R)-[3-(3-chloro-4-fluoro-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) 3.78 5.28 -52.59 3 4 1 67 304.732 3 ↓
Mid Mid (pH 6-8) 3.78 4.96 -7 2 4 0 65 303.724 3 ↓

Analogs

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Popular Name: 4-[[3-(3-chloro-4-fluoro-phenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline 4-[[3-(3-chloro-4-fluoro-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) 3.85 5.89 -8.02 2 4 0 65 303.724 3 ↓

Analogs

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Popular Name: 2-[[3-(3-chloro-4-fluoro-phenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline 2-[[3-(3-chloro-4-fluoro-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) 4.21 5.98 -7.42 2 4 0 65 303.724 3 ↓

Analogs

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Popular Name: 3-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol 3-[5-[(2-methoxyphenyl)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) 3.51 3.95 -11.16 1 5 0 68 282.299 4 ↓

Analogs

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Popular Name: 3-(3-chlorophenyl)-5-[(S)-chloro(phenyl)methyl]-1,2,4-oxadiazole 3-(3-chlorophenyl)-5-[(S)-chloro…

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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) 4.86 8.36 -7.72 0 3 0 39 305.164 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-chlorophenyl)-5-[(R)-chloro(phenyl)methyl]-1,2,4-oxadiazole 3-(3-chlorophenyl)-5-[(R)-chloro…

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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) 4.86 8.36 -7.74 0 3 0 39 305.164 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl](phenyl)methanamine [3-(3-chlorophenyl)-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) 3.66 5.23 -50.87 3 4 1 67 286.742 3 ↓
Hi High (pH 8-9.5) 3.66 4.91 -7.48 2 4 0 65 285.734 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl](phenyl)methanamine [3-(3-chlorophenyl)-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) 3.66 5.23 -50.88 3 4 1 67 286.742 3 ↓
Hi High (pH 8-9.5) 3.66 4.91 -7.93 2 4 0 65 285.734 3 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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