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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: 3-(chloromethyl)-5-(8-quinolyl)-1,2,4-oxadiazole 3-(chloromethyl)-5-(8-quinolyl)-…

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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) 2.25 4.84 -13.69 0 4 0 52 245.669 2 ↓

Analogs

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Popular Name: [5-(8-quinolyl)-1,2,4-oxadiazol-3-yl]methanamine [5-(8-quinolyl)-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) 0.86 1.63 -49.66 3 5 1 79 227.247 2 ↓
Hi High (pH 8-9.5) 0.86 1.24 -14.65 2 5 0 78 226.239 2 ↓

Analogs

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Popular Name: (1S)-1-[5-(8-quinolyl)-1,2,4-oxadiazol-3-yl]ethanamine (1S)-1-[5-(8-quinolyl)-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) -0.46 2.18 -46.32 3 5 1 79 241.274 2 ↓
Hi High (pH 8-9.5) -0.46 1.86 -14.28 2 5 0 78 240.266 2 ↓

Analogs

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Popular Name: (1R)-1-[5-(8-quinolyl)-1,2,4-oxadiazol-3-yl]ethanamine (1R)-1-[5-(8-quinolyl)-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) -0.46 2.18 -46.33 3 5 1 79 241.274 2 ↓
Hi High (pH 8-9.5) -0.46 1.81 -14.7 2 5 0 78 240.266 2 ↓

Analogs

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Popular Name: (1S)-1-[5-(8-quinolyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (1S)-1-[5-(8-quinolyl)-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) 0.04 2.99 -44.79 3 5 1 79 255.301 3 ↓
Hi High (pH 8-9.5) 0.04 2.67 -14.11 2 5 0 78 254.293 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-(8-quinolyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (1R)-1-[5-(8-quinolyl)-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) 0.04 2.99 -44.8 3 5 1 79 255.301 3 ↓
Hi High (pH 8-9.5) 0.04 2.7 -12.57 2 5 0 78 254.293 3 ↓

Analogs

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Popular Name: (1S)-1-[5-(8-quinolyl)-1,2,4-oxadiazol-3-yl]butan-1-amine (1S)-1-[5-(8-quinolyl)-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) 0.60 3.75 -45.87 3 5 1 79 269.328 4 ↓
Hi High (pH 8-9.5) 0.60 3.47 -12.5 2 5 0 78 268.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-(8-quinolyl)-1,2,4-oxadiazol-3-yl]butan-1-amine (1R)-1-[5-(8-quinolyl)-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) 0.60 3.75 -45.85 3 5 1 79 269.328 4 ↓
Hi High (pH 8-9.5) 0.60 3.44 -14.04 2 5 0 78 268.32 4 ↓

Analogs

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Popular Name: (1S)-2-methyl-1-[5-(8-quinolyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (1S)-2-methyl-1-[5-(8-quinolyl)-…

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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) 0.28 3.22 -45.27 3 5 1 79 269.328 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-methyl-1-[5-(8-quinolyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (1R)-2-methyl-1-[5-(8-quinolyl)-…

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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) 0.28 3.7 -44.78 3 5 1 79 269.328 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2,2-dimethyl-1-[5-(8-quinolyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (1S)-2,2-dimethyl-1-[5-(8-quinol…

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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) 0.86 3.83 -45.25 3 5 1 79 283.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2,2-dimethyl-1-[5-(8-quinolyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (1R)-2,2-dimethyl-1-[5-(8-quinol…

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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) 0.86 3.83 -45.23 3 5 1 79 283.355 3 ↓

Analogs

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Popular Name: 2-[5-(8-quinolyl)-1,2,4-oxadiazol-3-yl]propan-2-amine 2-[5-(8-quinolyl)-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) 1.86 2.77 -47.37 3 5 1 79 255.301 2 ↓
Hi High (pH 8-9.5) 1.86 2.49 -12.87 2 5 0 78 254.293 2 ↓

Analogs

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Popular Name: 3-[5-(8-quinolyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine 3-[5-(8-quinolyl)-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) 2.87 4.26 -46.34 3 5 1 79 283.355 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[5-(8-quinolyl)-1,2,4-oxadiazol-3-yl]butan-2-amine (2S)-2-[5-(8-quinolyl)-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) 2.37 3.5 -45.79 3 5 1 79 269.328 3 ↓
Hi High (pH 8-9.5) 2.37 3.22 -14.29 2 5 0 78 268.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[5-(8-quinolyl)-1,2,4-oxadiazol-3-yl]butan-2-amine (2R)-2-[5-(8-quinolyl)-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) 2.37 3.39 -45.02 3 5 1 79 269.328 3 ↓
Hi High (pH 8-9.5) 2.37 3.16 -12.84 2 5 0 78 268.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(8-quinolyl)-1,2,4-oxadiazol-3-yl]ethanamine 2-[5-(8-quinolyl)-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) 0.66 2.35 -53.55 3 5 1 79 241.274 3 ↓

Analogs

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Popular Name: N-methyl-1-[5-(8-quinolyl)-1,2,4-oxadiazol-3-yl]methanamine N-methyl-1-[5-(8-quinolyl)-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) 1.23 3.51 -43.96 2 5 1 68 241.274 3 ↓
Hi High (pH 8-9.5) 1.23 2.09 -13.98 1 5 0 64 240.266 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-[5-(8-quinolyl)-1,2,4-oxadiazol-3-yl]ethanamine N-methyl-2-[5-(8-quinolyl)-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) 1.64 4.22 -48.42 2 5 1 68 255.301 4 ↓

Analogs

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Popular Name: N-[[5-(8-quinolyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine N-[[5-(8-quinolyl)-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) 1.61 4.37 -42.9 2 5 1 68 255.301 4 ↓
Hi High (pH 8-9.5) 1.61 3.01 -13.81 1 5 0 64 254.293 4 ↓

Analogs

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Popular Name: N-[[5-(8-quinolyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine N-[[5-(8-quinolyl)-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) 1.90 4.9 -40.7 2 5 1 68 269.328 4 ↓
Hi High (pH 8-9.5) 1.90 3.7 -13.59 1 5 0 64 268.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-(8-quinolyl)-1,2,4-oxadiazol-3-yl]propan-1-amine 3-[5-(8-quinolyl)-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) 0.93 3.13 -53.54 3 5 1 79 255.301 4 ↓

Analogs

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Popular Name: (2S)-2-[5-(8-quinolyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (2S)-2-[5-(8-quinolyl)-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) 0.98 2.85 -53.19 3 5 1 79 255.301 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[5-(8-quinolyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (2R)-2-[5-(8-quinolyl)-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) 0.98 2.84 -53.16 3 5 1 79 255.301 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[5-(8-quinolyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (2S)-1-[5-(8-quinolyl)-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) 1.06 3.08 -45.47 3 5 1 79 255.301 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[5-(8-quinolyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (2R)-1-[5-(8-quinolyl)-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) 1.06 2.96 -42.16 3 5 1 79 255.301 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[5-(8-quinolyl)-1,2,4-oxadiazol-3-yl]butan-2-amine (2S)-1-[5-(8-quinolyl)-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) 1.59 3.89 -45.11 3 5 1 79 269.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[5-(8-quinolyl)-1,2,4-oxadiazol-3-yl]butan-2-amine (2R)-1-[5-(8-quinolyl)-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) 1.59 3.77 -41.67 3 5 1 79 269.328 4 ↓

Parameters Provided:

ring.id = 214930
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 214930 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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