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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: (S)-1,2,4-oxadiazol-3-yl(6-quinolyl)methanamine (S)-1,2,4-oxadiazol-3-yl(6-quino…

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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) 0.74 1.08 -50.94 3 5 1 79 227.247 2 ↓
Mid Mid (pH 6-8) 0.74 0.76 -12.11 2 5 0 78 226.239 2 ↓

Analogs

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Popular Name: (R)-1,2,4-oxadiazol-3-yl(6-quinolyl)methanamine (R)-1,2,4-oxadiazol-3-yl(6-quino…

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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) 0.74 1.08 -50.91 3 5 1 79 227.247 2 ↓
Mid Mid (pH 6-8) 0.74 0.75 -11.66 2 5 0 78 226.239 2 ↓

Analogs

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Popular Name: (R)-(5-methyl-1,2,4-oxadiazol-3-yl)-(6-quinolyl)methanamine (R)-(5-methyl-1,2,4-oxadiazol-3-…

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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) 0.96 1.82 -49.61 3 5 1 79 241.274 2 ↓
Mid Mid (pH 6-8) 0.96 1.49 -11.21 2 5 0 78 240.266 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-methyl-1,2,4-oxadiazol-3-yl)-(6-quinolyl)methanamine (S)-(5-methyl-1,2,4-oxadiazol-3-…

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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) 0.96 1.81 -49.6 3 5 1 79 241.274 2 ↓
Mid Mid (pH 6-8) 0.96 1.49 -11.64 2 5 0 78 240.266 2 ↓

Analogs

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Popular Name: (R)-(5-ethyl-1,2,4-oxadiazol-3-yl)-(6-quinolyl)methanamine (R)-(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) 1.53 2.58 -49.09 3 5 1 79 255.301 3 ↓
Mid Mid (pH 6-8) 1.53 2.26 -11.04 2 5 0 78 254.293 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-ethyl-1,2,4-oxadiazol-3-yl)-(6-quinolyl)methanamine (S)-(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) 1.53 2.57 -49.21 3 5 1 79 255.301 3 ↓
Mid Mid (pH 6-8) 1.53 2.25 -10.53 2 5 0 78 254.293 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-propyl-1,2,4-oxadiazol-3-yl)-(6-quinolyl)methanamine (R)-(5-propyl-1,2,4-oxadiazol-3-…

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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) 2.04 3.35 -49.02 3 5 1 79 269.328 4 ↓
Mid Mid (pH 6-8) 2.04 3.03 -10.57 2 5 0 78 268.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-propyl-1,2,4-oxadiazol-3-yl)-(6-quinolyl)methanamine (S)-(5-propyl-1,2,4-oxadiazol-3-…

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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) 2.04 3.35 -49.16 3 5 1 79 269.328 4 ↓
Mid Mid (pH 6-8) 2.04 3.02 -10.14 2 5 0 78 268.32 4 ↓

Analogs

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Popular Name: (R)-(5-isopropyl-1,2,4-oxadiazol-3-yl)-(6-quinolyl)methanamine (R)-(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) 2.02 3.19 -48.82 3 5 1 79 269.328 3 ↓
Mid Mid (pH 6-8) 2.02 2.86 -10.11 2 5 0 78 268.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-isopropyl-1,2,4-oxadiazol-3-yl)-(6-quinolyl)methanamine (S)-(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) 2.02 3.18 -48.82 3 5 1 79 269.328 3 ↓
Mid Mid (pH 6-8) 2.02 2.86 -10.69 2 5 0 78 268.32 3 ↓

Analogs

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Popular Name: (R)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-quinolyl)methanamine (R)-(5-tert-butyl-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) 2.68 3.71 -48.66 3 5 1 79 283.355 3 ↓
Mid Mid (pH 6-8) 2.68 3.39 -10.57 2 5 0 78 282.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-quinolyl)methanamine (S)-(5-tert-butyl-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) 2.68 3.7 -48.59 3 5 1 79 283.355 3 ↓
Mid Mid (pH 6-8) 2.68 3.38 -9.99 2 5 0 78 282.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-6-quinolyl-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine (S)-6-quinolyl-[5-(trifluorometh…

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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) 1.87 2.23 -52.55 3 5 1 79 295.244 3 ↓
Mid Mid (pH 6-8) 1.87 1.9 -7.83 2 5 0 78 294.236 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-6-quinolyl-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine (R)-6-quinolyl-[5-(trifluorometh…

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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) 1.87 2.23 -52.49 3 5 1 79 295.244 3 ↓
Mid Mid (pH 6-8) 1.87 1.91 -8.05 2 5 0 78 294.236 3 ↓

Parameters Provided:

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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 = 361261 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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