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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dimethylphenyl)-5-[(2-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole 2-(3,4-dimethylphenyl)-5-[(2-nit…

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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 7.22 -14.28 0 6 0 85 341.392 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole 2-(3,4-dimethylphenyl)-5-[(3-flu…

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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) 5.09 -0.13 -8.17 0 3 0 38 314.385 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzonitrile 3-[[5-(3,4-dimethylphenyl)-1,3,4…

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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) 4.68 0.51 -11 0 4 0 62 321.405 4 ↓

Analogs

6326604
6326604
7192081
7192081

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dimethylphenyl)-5-[(5-fluoro-2-methoxy-phenyl)methylsulfanyl]-1,3,4-oxadiazole 2-(3,4-dimethylphenyl)-5-[(5-flu…

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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) 5.10 6.06 -9.23 0 4 0 48 344.411 5 ↓

Analogs

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Popular Name: 1-[3-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone 1-[3-[[5-(3,4-dimethylphenyl)-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) 4.83 -0.31 -14.2 0 5 0 65 368.458 6 ↓

Analogs

6326709
6326709
4364115
4364115

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dimethylphenyl)-5-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-1,3,4-oxadiazole 2-(3,4-dimethylphenyl)-5-[(3-flu…

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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) 5.10 -0.11 -10.52 0 4 0 48 344.411 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dimethylphenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole 2-(3,4-dimethylphenyl)-5-[(3-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) 4.98 -0.85 -8.81 0 4 0 48 326.421 5 ↓

Analogs

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Popular Name: N-[3-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide N-[3-(5-benzylsulfanyl-1,3,4-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) 3.32 -2.59 -17.1 1 5 0 68 325.393 5 ↓

Analogs

7151077
7151077
7073978
7073978
7073980
7073980

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Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethyl-2-phenyl-acetamide 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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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) 5.04 -0.08 -10.07 0 5 0 59 395.528 7 ↓

Analogs

7073978
7073978
7073980
7073980
7151076
7151076

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethyl-2-phenyl-acetamide 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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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) 5.04 -0.1 -9.99 0 5 0 59 395.528 7 ↓

Analogs

6326709
6326709

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Popular Name: 3-fluoro-4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzonitrile 3-fluoro-4-[[5-(4-methoxyphenyl)…

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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) 4.03 0.61 -11.33 0 5 0 71 341.367 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-fluoro-benzonitrile 4-[[5-(3-chlorophenyl)-1,3,4-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) 4.62 0.45 -10.97 0 4 0 63 345.786 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-fluoro-benzonitrile 4-[[5-(2-ethoxyphenyl)-1,3,4-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) 4.36 0.98 -13.95 0 5 0 72 355.394 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-5-(2-bromophenyl)-1,3,4-oxadiazole 2-[(5-bromo-2-methoxy-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) 5.68 6.6 -9.88 0 4 0 48 456.159 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-3-[5-[(3-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide N,N-diethyl-3-[5-[(3-methoxyphen…

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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) 4.20 4.5 -14.78 0 7 0 86 433.555 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-bromophenyl)-5-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-1,3,4-oxadiazole 2-(2-bromophenyl)-5-[(2-chloro-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) 5.65 6.6 -8.76 0 3 0 39 399.672 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-bromophenyl)methylsulfanyl]-5-(2-ethoxyphenyl)-1,3,4-oxadiazole 2-[(4-bromophenyl)methylsulfanyl…

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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) 5.32 6.76 -10.29 0 4 0 48 391.29 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-(2-ethoxyphenyl)-1,3,4-oxadiazole 2-[(2,4-dichlorophenyl)methylsul…

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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) 5.79 7.08 -10.6 0 4 0 48 381.284 6 ↓

Analogs

21122861
21122861

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Popular Name: 1-[3-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone 1-[3-[[5-(2-ethoxyphenyl)-1,3,4-…

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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) 4.39 6.02 -17.95 0 6 0 74 384.457 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-5-(2-ethoxyphenyl)-1,3,4-oxadiazole 2-[(3,4-dichlorophenyl)methylsul…

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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) 5.79 7.1 -10.9 0 4 0 48 381.284 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-5-(3-chlorophenyl)-1,3,4-oxadiazole 2-[(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) 5.55 6.48 -7.84 0 3 0 39 355.221 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chlorophenyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3,4-oxadiazole 2-(3-chlorophenyl)-5-[(2-methoxy…

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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) 4.72 6.03 -12.04 0 7 0 94 377.809 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole 2-[(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) 4.54 5.14 -10.09 0 5 0 57 380.828 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole 2-[(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) 5.06 6.03 -6.81 0 3 0 39 338.766 4 ↓

Analogs

16617791
16617791

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-3-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide N,N-diethyl-3-[5-[(3-fluoropheny…

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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) 4.30 5.25 -14.4 0 6 0 76 421.519 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-fluorophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole 2-[(3-fluorophenyl)methylsulfany…

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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) 4.27 5.28 -11.25 0 4 0 48 316.357 5 ↓

Analogs

9257764
9257764

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Popular Name: (2R)-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethyl-2-phenyl-acetamide (2R)-2-[[5-(2-bromophenyl)-1,3,4…

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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) 4.97 8.65 -11.01 0 5 0 59 446.37 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-bromophenyl)-5-[[4-(difluoromethoxy)-3-methoxy-phenyl]methylsulfanyl]-1,3,4-oxadiazole 2-(2-bromophenyl)-5-[[4-(difluor…

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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) 5.09 5.59 -12.56 0 5 0 57 443.269 7 ↓

Analogs

8744628
8744628

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(difluoromethoxy)-3-methoxy-phenyl]methylsulfanyl]-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole 2-[[4-(difluoromethoxy)-3-methox…

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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) 4.37 3.61 -13.35 0 7 0 76 424.425 9 ↓

Analogs

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Popular Name: 2-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-5-(o-tolyl)-1,3,4-oxadiazole 2-[(1R)-1-(4-fluorophenyl)ethyl]…

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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) 5.05 7.66 -7.27 0 3 0 39 314.385 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanyl-5-(o-tolyl)-1,3,4-oxadiazole 2-[(1S)-1-(4-fluorophenyl)ethyl]…

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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) 5.05 7.66 -7.29 0 3 0 39 314.385 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-5-(p-tolyl)-1,3,4-oxadiazole 2-[(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) 5.34 6.63 -7.72 0 3 0 39 334.803 4 ↓

Analogs

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

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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) 5.67 7.23 -7.88 0 3 0 39 330.84 5 ↓

Analogs

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

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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) 5.67 7.33 -7.87 0 3 0 39 330.84 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-ethoxyphenyl)-5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole 2-(2-ethoxyphenyl)-5-[(2-fluorop…

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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) 4.62 6.09 -12.44 0 4 0 48 330.384 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-chlorophenyl)methylsulfanyl]-5-(2-ethoxyphenyl)-1,3,4-oxadiazole 2-[(3-chlorophenyl)methylsulfany…

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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) 5.16 6.58 -10.93 0 4 0 48 346.839 6 ↓

Analogs

3556112
3556112
4010841
4010841
4954276
4954276
5864381
5864381

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Popular Name: 4-[[[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzonitrile 4-[[[5-(4-cyanophenyl)-1,3,4-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) 3.63 1.26 -12.08 0 5 0 86 318.361 4 ↓

Analogs

4825596
4825596
4825815
4825815
8445473
8445473
8590918
8590918

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzonitrile 2-[[[5-(4-cyanophenyl)-1,3,4-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) 3.58 1.11 -13.3 0 5 0 86 318.361 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[5-(3-cyanophenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzonitrile 2-[[[5-(3-cyanophenyl)-1,3,4-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 6.03 -15.64 0 5 0 87 318.361 4 ↓

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) 4.73 6.11 -12.46 0 6 0 74 370.43 7 ↓

Analogs

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Popular Name: 2-(2-bromophenyl)-5-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole 2-(2-bromophenyl)-5-[[2-(difluor…

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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) 5.45 5.75 -11.14 0 4 0 48 413.243 6 ↓

Analogs

5863668
5863668

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Popular Name: BRD-K86889674-001-01-1 BRD-K86889674-001-01-1

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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 4.71 -9.2 0 4 0 48 298.367 5 ↓

Analogs

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Popular Name: BRD-K17083657-001-01-6 BRD-K17083657-001-01-6

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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 6.16 -10.12 0 3 0 39 336.338 5 ↓

Analogs

178892
178892
181097
181097

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Popular Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole 2-[(2,5-dimethylphenyl)methylsul…

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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) 4.95 6.62 -7.65 0 3 0 39 296.395 4 ↓

Analogs

12805956
12805956
12179122
12179122
10218891
10218891

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Popular Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole 2-[(3,5-dimethylphenyl)methylsul…

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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) 4.95 6.74 -7.74 0 3 0 39 296.395 4 ↓

Analogs

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Popular Name: 2-(4-fluorophenyl)-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,3,4-oxadiazole 2-(4-fluorophenyl)-5-[(2-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) 4.60 6.69 -11.06 0 6 0 85 345.355 5 ↓

Parameters Provided:

ring.id = 2393
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 2393 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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