UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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) 1.73 6.42 -51.32 1 6 1 70 296.372 8 ↓

Analogs

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Popular Name: 1-ethyl-3-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]urea 1-ethyl-3-[[3-(2-thienyl)-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) 1.42 0.47 -10.62 2 6 0 80 252.299 4 ↓

Analogs

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Popular Name: 1-isobutyl-3-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]urea 1-isobutyl-3-[[3-(2-thienyl)-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) 2.16 1.99 -10.22 2 6 0 80 280.353 5 ↓

Analogs

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Popular Name: 1-butyl-3-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]urea 1-butyl-3-[[3-(2-thienyl)-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) 2.48 2.01 -10.37 2 6 0 80 280.353 6 ↓

Analogs

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Popular Name: 1-methyl-3-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]urea 1-methyl-3-[[3-(2-thienyl)-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) 1.04 -0.37 -11.12 2 6 0 80 238.272 3 ↓

Analogs

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Popular Name: 1-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2,2,2-trifluoroethyl)urea 1-[[3-(2-thienyl)-1,2,4-oxadiazo…

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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) 1.97 0.94 -10.1 2 6 0 80 306.269 5 ↓

Analogs

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Popular Name: 1-propyl-3-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]urea 1-propyl-3-[[3-(2-thienyl)-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) 1.92 1.24 -10.46 2 6 0 80 266.326 5 ↓

Analogs

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Popular Name: 3-[3-(4-bromo-2-thienyl)-1,2,4-oxadiazol-5-yl]-N-isopentyl-propanamide 3-[3-(4-bromo-2-thienyl)-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) 3.78 5.23 -10 1 5 0 68 372.288 7 ↓

Analogs

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Popular Name: 3-[3-(4-bromo-2-thienyl)-1,2,4-oxadiazol-5-yl]-N-hexyl-propanamide 3-[3-(4-bromo-2-thienyl)-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) 4.57 6.28 -10.07 1 5 0 68 386.315 9 ↓

Analogs

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Popular Name: 3-[3-(4-bromo-2-thienyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1,2-dimethylpropyl]propanamide 3-[3-(4-bromo-2-thienyl)-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) 3.58 5.21 -9.71 1 5 0 68 372.288 6 ↓

Analogs

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

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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) -1.01 -0.81 -74.25 3 6 1 101 288.374 5 ↓
Hi High (pH 8-9.5) -1.01 -1.14 -21.98 2 6 0 99 287.366 5 ↓

Analogs

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

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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) -1.01 -0.81 -74.29 3 6 1 101 288.374 5 ↓
Hi High (pH 8-9.5) -1.01 -1.12 -18.43 2 6 0 99 287.366 5 ↓

Analogs

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Popular Name: N-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide N-[[3-(2-thienyl)-1,2,4-oxadiazo…

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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) 0.75 0.99 -10.48 1 5 0 68 223.257 3 ↓

Analogs

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Popular Name: N-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide N-[[3-(2-thienyl)-1,2,4-oxadiazo…

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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) 2.65 3.35 -10 1 5 0 68 265.338 6 ↓

Analogs

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Popular Name: 3-methyl-N-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide 3-methyl-N-[[3-(2-thienyl)-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) 2.36 3.16 -9.57 1 5 0 68 265.338 5 ↓

Analogs

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Popular Name: 2-ethyl-N-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide 2-ethyl-N-[[3-(2-thienyl)-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) 2.84 3.85 -8.98 1 5 0 68 279.365 6 ↓

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) 1.24 0.4 -9.32 1 6 0 77 239.256 4 ↓

Analogs

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Popular Name: N-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]ethanesulfonamide N-[[3-(2-thienyl)-1,2,4-oxadiazo…

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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) 1.14 -0.34 -16.55 1 6 0 85 273.339 5 ↓

Analogs

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Popular Name: N-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]propane-1-sulfonamide N-[[3-(2-thienyl)-1,2,4-oxadiazo…

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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) 1.64 0.46 -16.33 1 6 0 85 287.366 6 ↓

Analogs

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Popular Name: N-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]butane-1-sulfonamide N-[[3-(2-thienyl)-1,2,4-oxadiazo…

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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) 2.20 1.24 -16.4 1 6 0 85 301.393 7 ↓

Analogs

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Popular Name: 5-[(dimethylsulfamoylamino)methyl]-3-(2-thienyl)-1,2,4-oxadiazole 5-[(dimethylsulfamoylamino)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) 0.77 -0.84 -14.28 1 7 0 88 288.354 5 ↓
Hi High (pH 8-9.5) 0.77 -1.19 -43.04 0 7 -1 90 287.346 5 ↓

Analogs

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Popular Name: N-[2-(2-methoxyethylamino)-2-oxo-ethyl]-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanamide N-[2-(2-methoxyethylamino)-2-oxo…

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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 0.13 -14.05 2 8 0 106 338.389 9 ↓

Analogs

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Popular Name: (2S)-2-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (2S)-2-[3-(2-thienyl)-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) 3.08 2.66 -44.86 3 4 1 67 238.336 4 ↓
Hi High (pH 8-9.5) 3.08 2.44 -6.41 2 4 0 65 237.328 4 ↓

Analogs

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Popular Name: (2R)-2-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (2R)-2-[3-(2-thienyl)-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) 3.08 2.66 -44.88 3 4 1 67 238.336 4 ↓
Hi High (pH 8-9.5) 3.08 2.36 -8.11 2 4 0 65 237.328 4 ↓

Analogs

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Popular Name: N-methyl-N-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]ethane-1,2-diamine N-methyl-N-[[3-(2-thienyl)-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) 0.44 2.25 -126.2 4 5 2 71 240.332 5 ↓
Mid Mid (pH 6-8) 0.44 -0.11 -51.7 3 5 1 70 239.324 5 ↓

Analogs

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Popular Name: N-methyl-N-[3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propyl]ethane-1,2-diamine N-methyl-N-[3-[3-(2-thienyl)-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) 1.11 3.49 -124.72 4 5 2 71 268.386 7 ↓
Mid Mid (pH 6-8) 1.11 3.1 -44 3 5 1 69 267.378 7 ↓
Mid Mid (pH 6-8) 1.11 1.18 -49.81 3 5 1 70 267.378 7 ↓

Analogs

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Popular Name: 2-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic 2-[[3-(2-thienyl)-1,2,4-oxadiazo…

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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 4.66 -48.47 0 5 -1 79 255.3 5 ↓

Analogs

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Popular Name: 5-(3-methylbut-2-enylsulfonylmethyl)-3-(2-thienyl)-1,2,4-oxadiazole 5-(3-methylbut-2-enylsulfonylmet…

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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 3.07 -21.9 0 5 0 73 298.389 5 ↓

Analogs

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Popular Name: N-methyl-N-[(1R)-1-methylpropyl]-4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]butanamide N-methyl-N-[(1R)-1-methylpropyl]…

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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 7.05 -17.18 0 5 0 59 307.419 7 ↓

Analogs

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Popular Name: N-(cyanomethyl)-N-propyl-4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]butanamide N-(cyanomethyl)-N-propyl-4-[3-(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) 2.56 6.95 -23.15 0 6 0 83 318.402 8 ↓

Analogs

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Popular Name: 5-[(1R)-1-(1-propylbutylsulfonyl)ethyl]-3-(2-thienyl)-1,2,4-oxadiazole 5-[(1R)-1-(1-propylbutylsulfonyl…

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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) 4.43 5.6 -19.59 0 5 0 73 342.486 8 ↓

Analogs

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Popular Name: (2R)-2-acetamido-3-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic (2R)-2-acetamido-3-[[3-(2-thieny…

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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) -0.75 4.18 -54.91 1 7 -1 108 326.379 7 ↓

Analogs

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Popular Name: (2S)-2-acetamido-3-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic (2S)-2-acetamido-3-[[3-(2-thieny…

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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) -0.75 4.08 -56 1 7 -1 108 326.379 7 ↓

Analogs

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Popular Name: (2R)-2-formamido-3-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic (2R)-2-formamido-3-[[3-(2-thieny…

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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 3.51 -54.1 1 7 -1 108 312.352 7 ↓

Analogs

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Popular Name: (2S)-2-formamido-3-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic (2S)-2-formamido-3-[[3-(2-thieny…

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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 3.38 -55.05 1 7 -1 108 312.352 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) 1.53 4.17 -12.46 2 6 0 91 327.431 9 ↓
Lo Low (pH 4.5-6) 1.53 4.51 -47.87 3 6 1 93 328.439 9 ↓

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) 1.53 4.18 -12.81 2 6 0 91 327.431 9 ↓
Lo Low (pH 4.5-6) 1.53 4.51 -47.5 3 6 1 93 328.439 9 ↓

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) 1.05 2.59 -11.86 2 6 0 91 299.377 7 ↓
Lo Low (pH 4.5-6) 1.05 2.93 -48.64 3 6 1 93 300.385 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) 1.05 2.65 -11.77 2 6 0 91 299.377 7 ↓
Lo Low (pH 4.5-6) 1.05 2.94 -48.1 3 6 1 93 300.385 7 ↓

Analogs

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Popular Name: 4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]butan-1-amine 4-[3-(2-thienyl)-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) 1.36 2.33 -50.93 3 4 1 67 224.309 5 ↓

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) 2.13 6.92 -45.42 1 6 1 70 310.399 8 ↓

Analogs

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

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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) 2.38 3.83 -40.84 2 5 1 64 345.242 7 ↓
Hi High (pH 8-9.5) 2.38 1.42 -8.09 1 5 0 62 344.234 7 ↓

Analogs

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Popular Name: N,N'-dimethyl-N'-[3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propyl]ethane-1,2-diamine N,N'-dimethyl-N'-[3-[3-(2-thieny…

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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) 2.10 5.36 -120.6 3 5 2 60 282.413 8 ↓
Hi High (pH 8-9.5) 2.10 3.92 -44.83 2 5 1 55 281.405 8 ↓
Mid Mid (pH 6-8) 2.10 3.06 -45.06 2 5 1 59 281.405 8 ↓

Analogs

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Popular Name: N,N'-dimethyl-N'-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]ethane-1,2-diamine N,N'-dimethyl-N'-[[3-(2-thienyl)…

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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) 1.42 4.11 -122.11 3 5 2 60 254.359 6 ↓
Hi High (pH 8-9.5) 1.42 2.67 -42.83 2 5 1 55 253.351 6 ↓
Mid Mid (pH 6-8) 1.42 1.77 -46.93 2 5 1 59 253.351 6 ↓

Analogs

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Popular Name: 1-methyl-3-[3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanoylamino]urea 1-methyl-3-[3-[3-(2-thienyl)-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) 0.80 0.09 -18.21 3 8 0 109 295.324 5 ↓

Analogs

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Popular Name: N-(2-bromoallyl)-4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]butanamide N-(2-bromoallyl)-4-[3-(2-thienyl…

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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 4.52 -16.06 1 5 0 68 356.245 7 ↓

Analogs

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Popular Name: N-(2-bromoallyl)-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanamide N-(2-bromoallyl)-3-[3-(2-thienyl…

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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 3.74 -10.9 1 5 0 68 342.218 6 ↓

Analogs

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Popular Name: 3-(4-bromo-2-thienyl)-5-(3-methylbut-2-enylsulfonylmethyl)-1,2,4-oxadiazole 3-(4-bromo-2-thienyl)-5-(3-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) 3.61 3.68 -20.48 0 5 0 73 377.285 5 ↓

Analogs

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Popular Name: 4-methoxy-N-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide 4-methoxy-N-[[3-(2-thienyl)-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) 1.24 1.64 -12.38 1 6 0 77 281.337 7 ↓

Analogs

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Popular Name: 2-[[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methylamino]methylene]propanedinitrile 2-[[[3-(2-thienyl)-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) 1.07 3.42 -22.45 1 6 0 99 257.278 4 ↓

Parameters Provided:

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