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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: N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-isopropylphenyl)-N-methyl-methanamine N-[(5-isopropyl-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) 3.79 8.6 -38.24 1 4 1 43 288.415 6 ↓
Mid Mid (pH 6-8) 3.79 6.3 -6.75 0 4 0 42 287.407 6 ↓

Analogs

35477300
35477300
35477302
35477302

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Popular Name: 4-[[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-methyl-amino]methyl]-N-methyl-benzamide 4-[[(5-butyl-1,2,4-oxadiazol-3-y…

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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) 2.05 6.06 -50.92 2 6 1 72 317.413 8 ↓
Mid Mid (pH 6-8) 2.05 3.72 -13.31 1 6 0 71 316.405 8 ↓

Analogs

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Popular Name: 1-(5-butyl-1,2,4-oxadiazol-3-yl)-N-[(3,4-difluorophenyl)methyl]-N-methyl-methanamine 1-(5-butyl-1,2,4-oxadiazol-3-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) 3.11 7.9 -49.76 1 4 1 43 296.341 7 ↓
Mid Mid (pH 6-8) 3.11 5.57 -10.13 0 4 0 42 295.333 7 ↓

Analogs

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Popular Name: methyl 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) 3.40 7.3 -11.43 0 6 0 68 351.834 10 ↓
Lo Low (pH 4.5-6) 3.40 9.01 -43.22 1 6 1 70 352.842 10 ↓

Analogs

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Popular Name: N-[(2-chloro-4-fluoro-phenyl)methyl]-2-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine N-[(2-chloro-4-fluoro-phenyl)met…

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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) 1.98 3.92 -9.9 0 5 0 51 313.76 7 ↓
Mid Mid (pH 6-8) 1.98 6.26 -37.17 1 5 1 53 314.768 7 ↓

Analogs

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

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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) 3.81 8.93 -38.69 1 4 1 43 288.415 7 ↓
Mid Mid (pH 6-8) 3.81 6.6 -6.68 0 4 0 42 287.407 7 ↓

Analogs

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Popular Name: N-methyl-1-(5-propyl-1,2,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine N-methyl-1-(5-propyl-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) 3.19 5.67 -8 0 4 0 42 313.323 7 ↓
Mid Mid (pH 6-8) 3.19 8 -46.33 1 4 1 43 314.331 7 ↓

Analogs

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Popular Name: (1S)-1-(3-chlorophenyl)-N-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (1S)-1-(3-chlorophenyl)-N-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) 3.51 8.16 -37.48 1 4 1 43 294.806 6 ↓
Mid Mid (pH 6-8) 3.51 6.13 -7.79 0 4 0 42 293.798 6 ↓

Analogs

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Popular Name: 2-[(2-bromophenyl)methyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol 2-[(2-bromophenyl)methyl-[(5-eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.92 4.64 -33.6 2 5 1 64 341.229 7 ↓
Mid Mid (pH 6-8) 1.92 2.26 -10.03 1 5 0 62 340.221 7 ↓

Analogs

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Popular Name: 2-[(2-bromophenyl)methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol 2-[(2-bromophenyl)methyl-[(5-met…

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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) 1.35 3.88 -33.98 2 5 1 64 327.202 6 ↓
Mid Mid (pH 6-8) 1.35 1.5 -10.62 1 5 0 62 326.194 6 ↓

Analogs

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Popular Name: N-[[2-(2-methylallyloxy)phenyl]methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine N-[[2-(2-methylallyloxy)phenyl]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) 2.80 7.35 -33.15 1 5 1 53 302.398 8 ↓
Hi High (pH 8-9.5) 2.80 5.17 -8.73 0 5 0 51 301.39 8 ↓

Analogs

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Popular Name: [3-[[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-2,4,6-trimethyl-phenyl]methyl [3-[[ethyl-[(5-methyl-1,2,4-oxad…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.77 8.56 -41.55 1 6 1 70 346.451 8 ↓
Mid Mid (pH 6-8) 2.77 6.73 -12.07 0 6 0 68 345.443 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[ethyl-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-2,4,6-trimethyl-phenyl]methanol [3-[[ethyl-[(5-isobutyl-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) 3.38 6.52 -36.66 2 5 1 64 346.495 8 ↓
Hi High (pH 8-9.5) 3.38 4.47 -9.85 1 5 0 62 345.487 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.68 7.32 -34.85 1 5 1 53 290.387 8 ↓
Mid Mid (pH 6-8) 2.68 4.97 -8.33 0 5 0 51 289.379 8 ↓

Analogs

37981013
37981013

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Popular Name: N-[[3-chloro-5-methoxy-4-[(1R)-1-methylpropoxy]phenyl]methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)meth N-[[3-chloro-5-methoxy-4-[(1R)-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) 3.29 7.71 -45.72 1 6 1 62 368.885 9 ↓
Hi High (pH 8-9.5) 3.29 5.58 -10.52 0 6 0 61 367.877 9 ↓

Analogs

37981013
37981013

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Popular Name: N-[[3-chloro-5-methoxy-4-[(1S)-1-methylpropoxy]phenyl]methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)meth N-[[3-chloro-5-methoxy-4-[(1S)-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) 3.29 7.8 -45.67 1 6 1 62 368.885 9 ↓
Hi High (pH 8-9.5) 3.29 5.67 -10.57 0 6 0 61 367.877 9 ↓

Analogs

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Popular Name: (2S)-2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-(4-fluoro-3-methyl-phenyl)acetic (2S)-2-[ethyl-[(5-methyl-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) 1.57 7.27 -29.22 1 6 0 83 307.325 6 ↓

Analogs

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Popular Name: (2R)-2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-(4-fluoro-3-methyl-phenyl)acetic (2R)-2-[ethyl-[(5-methyl-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) 1.57 7.01 -28.08 1 6 0 83 307.325 6 ↓

Analogs

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Popular Name: N-[(4-methylsulfonylphenyl)methyl]-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine N-[(4-methylsulfonylphenyl)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) 1.54 3.27 -14.63 0 6 0 76 337.445 8 ↓
Mid Mid (pH 6-8) 1.54 4.73 -50.1 1 6 1 78 338.453 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-ethoxy-5-[[ethyl-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]phenyl]methanol [2-ethoxy-5-[[ethyl-[(5-isobutyl…

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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) 2.61 5.63 -37.68 2 6 1 73 348.467 10 ↓
Hi High (pH 8-9.5) 2.61 3.26 -10.02 1 6 0 72 347.459 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-chloro-4-[(1R)-1-methylpropoxy]phenyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methan 1-[3-chloro-4-[(1R)-1-methylprop…

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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) 3.12 7.51 -44.85 1 5 1 53 324.832 7 ↓
Mid Mid (pH 6-8) 3.12 5.21 -10.01 0 5 0 51 323.824 7 ↓

Analogs

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Popular Name: 1-[3-chloro-4-[(1S)-1-methylpropoxy]phenyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methan 1-[3-chloro-4-[(1S)-1-methylprop…

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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) 3.12 7.51 -44.82 1 5 1 53 324.832 7 ↓
Mid Mid (pH 6-8) 3.12 5.22 -10 0 5 0 51 323.824 7 ↓

Analogs

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Popular Name: 2-[2-[[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-6-methoxy-phenoxy]-N,N-dimethyl-et 2-[2-[[ethyl-[(5-methyl-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) 1.45 7.38 -92.9 2 7 2 66 350.463 10 ↓
Hi High (pH 8-9.5) 1.45 2.47 -11.07 0 7 0 64 348.447 10 ↓
Mid Mid (pH 6-8) 1.45 4.96 -40.31 1 7 1 65 349.455 10 ↓

Analogs

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Popular Name: 2-chloro-4-[[ethyl-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-6-methoxy-phenol 2-chloro-4-[[ethyl-[(5-isobutyl-…

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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) 3.09 5.3 -45.31 2 6 1 73 354.858 8 ↓
Hi High (pH 8-9.5) 3.09 4.08 -50.78 0 6 -1 74 352.842 8 ↓
Hi High (pH 8-9.5) 3.09 6.23 -60.39 1 6 0 76 353.85 8 ↓

Analogs

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Popular Name: 4-[4-[[ethyl-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]phenyl]-2-methyl-but-3-yn-2-ol 4-[4-[[ethyl-[(5-isobutyl-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) 3.29 8.51 -43.24 2 5 1 64 356.49 7 ↓
Mid Mid (pH 6-8) 3.29 5.88 -10.02 1 5 0 62 355.482 7 ↓

Analogs

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Popular Name: methyl 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) 3.60 6.72 -8.43 1 6 0 77 331.416 10 ↓
Mid Mid (pH 6-8) 3.60 7.9 -34.96 2 6 1 82 332.424 10 ↓

Analogs

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Popular Name: methyl 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) 3.60 6.73 -8.22 1 6 0 77 331.416 10 ↓
Mid Mid (pH 6-8) 3.60 7.93 -34.44 2 6 1 82 332.424 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methyl-amino]methyl]benzoic 4-[[(5-ethyl-1,2,4-oxadiazol-3-y…

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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) 1.70 6.8 -78.13 1 6 0 83 275.308 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl-methyl-amino]methyl]benzoic 4-[[(5-isopropyl-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) 2.19 7.4 -77.75 1 6 0 83 289.335 6 ↓

Analogs

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Popular Name: 4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]benzoic 4-[[methyl-[(5-propyl-1,2,4-oxad…

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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 7.57 -77.89 1 6 0 83 289.335 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]benzoic 4-[[methyl-[(5-methyl-1,2,4-oxad…

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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) 1.13 5.87 -78.29 1 6 0 83 261.281 5 ↓

Analogs

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Popular Name: 4-[[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]methyl]benzoic 4-[[methyl(1,2,4-oxadiazol-3-ylm…

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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) 0.91 5.12 -79.43 1 6 0 83 247.254 5 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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