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Analogs

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Popular Name: 3-(chloromethyl)-5-(6-quinolyl)-1,2,4-oxadiazole 3-(chloromethyl)-5-(6-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) 2.27 4.52 -8.81 0 4 0 52 245.669 2 ↓

Analogs

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Popular Name: [5-(6-quinolyl)-1,2,4-oxadiazol-3-yl]methanamine [5-(6-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) 0.88 1.32 -48.86 3 5 1 79 227.247 2 ↓
Hi High (pH 8-9.5) 0.88 0.93 -9.02 2 5 0 78 226.239 2 ↓

Analogs

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Popular Name: (1S)-1-[5-(6-quinolyl)-1,2,4-oxadiazol-3-yl]ethanamine (1S)-1-[5-(6-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) -0.44 1.87 -46.05 3 5 1 79 241.274 2 ↓
Hi High (pH 8-9.5) -0.44 1.55 -8.87 2 5 0 78 240.266 2 ↓

Analogs

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Popular Name: (1R)-1-[5-(6-quinolyl)-1,2,4-oxadiazol-3-yl]ethanamine (1R)-1-[5-(6-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) -0.44 1.86 -46.01 3 5 1 79 241.274 2 ↓
Hi High (pH 8-9.5) -0.44 1.49 -9.15 2 5 0 78 240.266 2 ↓

Analogs

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Popular Name: (1S)-1-[5-(6-quinolyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (1S)-1-[5-(6-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) 0.06 2.68 -44.65 3 5 1 79 255.301 3 ↓
Hi High (pH 8-9.5) 0.06 2.37 -8.67 2 5 0 78 254.293 3 ↓

Analogs

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Popular Name: (1R)-1-[5-(6-quinolyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (1R)-1-[5-(6-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) 0.06 2.68 -44.66 3 5 1 79 255.301 3 ↓
Hi High (pH 8-9.5) 0.06 2.39 -7.38 2 5 0 78 254.293 3 ↓

Analogs

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Popular Name: (1S)-1-[5-(6-quinolyl)-1,2,4-oxadiazol-3-yl]butan-1-amine (1S)-1-[5-(6-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) 0.62 3.44 -45.86 3 5 1 79 269.328 4 ↓
Hi High (pH 8-9.5) 0.62 3.12 -8.55 2 5 0 78 268.32 4 ↓

Analogs

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Popular Name: (1R)-1-[5-(6-quinolyl)-1,2,4-oxadiazol-3-yl]butan-1-amine (1R)-1-[5-(6-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) 0.62 3.44 -45.83 3 5 1 79 269.328 4 ↓
Hi High (pH 8-9.5) 0.62 3.15 -7.29 2 5 0 78 268.32 4 ↓

Analogs

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Popular Name: (1S)-2-methyl-1-[5-(6-quinolyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (1S)-2-methyl-1-[5-(6-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) 0.31 3.39 -44.65 3 5 1 79 269.328 3 ↓

Analogs

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Popular Name: (1R)-2-methyl-1-[5-(6-quinolyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (1R)-2-methyl-1-[5-(6-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) 0.31 2.93 -45.15 3 5 1 79 269.328 3 ↓

Analogs

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Popular Name: (1S)-2,2-dimethyl-1-[5-(6-quinolyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (1S)-2,2-dimethyl-1-[5-(6-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) 0.89 3.52 -45.03 3 5 1 79 283.355 3 ↓

Analogs

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Popular Name: (1R)-2,2-dimethyl-1-[5-(6-quinolyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (1R)-2,2-dimethyl-1-[5-(6-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) 0.89 3.53 -45 3 5 1 79 283.355 3 ↓

Analogs

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Popular Name: 2-[5-(6-quinolyl)-1,2,4-oxadiazol-3-yl]propan-2-amine 2-[5-(6-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) 1.89 2.47 -45.07 3 5 1 79 255.301 2 ↓
Hi High (pH 8-9.5) 1.89 2.23 -8.86 2 5 0 78 254.293 2 ↓

Analogs

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Popular Name: 3-[5-(6-quinolyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine 3-[5-(6-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) 2.89 3.93 -44.12 3 5 1 79 283.355 4 ↓

Analogs

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Popular Name: (2S)-2-[5-(6-quinolyl)-1,2,4-oxadiazol-3-yl]butan-2-amine (2S)-2-[5-(6-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) 2.39 3.2 -43.51 3 5 1 79 269.328 3 ↓
Hi High (pH 8-9.5) 2.39 2.96 -7.37 2 5 0 78 268.32 3 ↓

Analogs

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Popular Name: (2R)-2-[5-(6-quinolyl)-1,2,4-oxadiazol-3-yl]butan-2-amine (2R)-2-[5-(6-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) 2.39 3.08 -43.32 3 5 1 79 269.328 3 ↓
Hi High (pH 8-9.5) 2.39 2.82 -8.88 2 5 0 78 268.32 3 ↓

Analogs

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Popular Name: 2-[5-(6-quinolyl)-1,2,4-oxadiazol-3-yl]ethanamine 2-[5-(6-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) 0.68 2.03 -51.18 3 5 1 79 241.274 3 ↓

Analogs

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Popular Name: N-methyl-1-[5-(6-quinolyl)-1,2,4-oxadiazol-3-yl]methanamine N-methyl-1-[5-(6-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) 1.25 3.2 -43.16 2 5 1 68 241.274 3 ↓
Hi High (pH 8-9.5) 1.25 1.77 -8.53 1 5 0 64 240.266 3 ↓

Analogs

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Popular Name: N-methyl-2-[5-(6-quinolyl)-1,2,4-oxadiazol-3-yl]ethanamine N-methyl-2-[5-(6-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) 1.66 3.92 -46.07 2 5 1 68 255.301 4 ↓

Analogs

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Popular Name: N-[[5-(6-quinolyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine N-[[5-(6-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) 1.63 4.05 -42.17 2 5 1 68 255.301 4 ↓
Hi High (pH 8-9.5) 1.63 2.69 -8.34 1 5 0 64 254.293 4 ↓

Analogs

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Popular Name: N-[[5-(6-quinolyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine N-[[5-(6-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) 1.93 4.58 -40.22 2 5 1 68 269.328 4 ↓
Hi High (pH 8-9.5) 1.93 3.37 -8.2 1 5 0 64 268.32 4 ↓

Analogs

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Popular Name: 3-[5-(6-quinolyl)-1,2,4-oxadiazol-3-yl]propan-1-amine 3-[5-(6-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) 0.95 2.81 -50.17 3 5 1 79 255.301 4 ↓

Analogs

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Popular Name: (2S)-2-[5-(6-quinolyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (2S)-2-[5-(6-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) 1.00 2.53 -50.92 3 5 1 79 255.301 3 ↓

Analogs

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Popular Name: (2R)-2-[5-(6-quinolyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (2R)-2-[5-(6-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) 1.00 2.53 -50.94 3 5 1 79 255.301 3 ↓

Analogs

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Popular Name: (2S)-1-[5-(6-quinolyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (2S)-1-[5-(6-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) 1.08 2.76 -43.61 3 5 1 79 255.301 3 ↓

Analogs

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Popular Name: (2R)-1-[5-(6-quinolyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (2R)-1-[5-(6-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) 1.08 2.64 -42.3 3 5 1 79 255.301 3 ↓

Analogs

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Popular Name: (2S)-1-[5-(6-quinolyl)-1,2,4-oxadiazol-3-yl]butan-2-amine (2S)-1-[5-(6-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) 1.62 3.58 -43.28 3 5 1 79 269.328 4 ↓

Analogs

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Popular Name: (2R)-1-[5-(6-quinolyl)-1,2,4-oxadiazol-3-yl]butan-2-amine (2R)-1-[5-(6-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) 1.62 3.46 -41.95 3 5 1 79 269.328 4 ↓

Parameters Provided:

ring.id = 214929
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 = 214929 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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