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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: [4-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]tetrahydropyran-4-yl]methanol [4-[(3-butyl-1,2,4-oxadiazol-5-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) 1.02 0.22 -44.81 3 6 1 85 270.353 7 ↓
Mid Mid (pH 6-8) 1.02 -0.62 -7.81 2 6 0 80 269.345 7 ↓

Analogs

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Popular Name: (4R)-2,2-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrahydropyran-4-amine (4R)-2,2-dimethyl-N-[(3-methyl-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) 0.76 1.85 -47.76 2 5 1 65 226.3 3 ↓
Hi High (pH 8-9.5) 0.76 0.64 -7.61 1 5 0 60 225.292 3 ↓

Analogs

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Popular Name: (4S)-2,2-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrahydropyran-4-amine (4S)-2,2-dimethyl-N-[(3-methyl-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) 0.76 1.85 -47.8 2 5 1 65 226.3 3 ↓
Hi High (pH 8-9.5) 0.76 0.67 -7.24 1 5 0 60 225.292 3 ↓

Analogs

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Popular Name: (2R,4R)-2-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrahydropyran-4-amine (2R,4R)-2-ethyl-N-[(3-methyl-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) 0.82 2.31 -47.68 2 5 1 65 226.3 4 ↓
Hi High (pH 8-9.5) 0.82 1.11 -7.17 1 5 0 60 225.292 4 ↓

Analogs

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Popular Name: (2S,4R)-2-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrahydropyran-4-amine (2S,4R)-2-ethyl-N-[(3-methyl-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) 0.82 2.49 -47.06 2 5 1 65 226.3 4 ↓
Hi High (pH 8-9.5) 0.82 1.39 -7.02 1 5 0 60 225.292 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrahydropyran-4-amine (2R,4S)-2-ethyl-N-[(3-methyl-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) 0.82 2.48 -47.06 2 5 1 65 226.3 4 ↓
Hi High (pH 8-9.5) 0.82 1.59 -7.23 1 5 0 60 225.292 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrahydropyran-4-amine (2S,4S)-2-ethyl-N-[(3-methyl-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) 0.82 2.31 -47.73 2 5 1 65 226.3 4 ↓
Hi High (pH 8-9.5) 0.82 1.1 -7.34 1 5 0 60 225.292 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrahydropyran-4-amine (2R,4R)-2-methyl-N-[(3-methyl-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) 0.31 1.48 -47.44 2 5 1 65 212.273 3 ↓
Hi High (pH 8-9.5) 0.31 0.27 -7.62 1 5 0 60 211.265 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrahydropyran-4-amine (2R,4S)-2-methyl-N-[(3-methyl-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) 0.31 1.2 -47.17 2 5 1 65 212.273 3 ↓
Hi High (pH 8-9.5) 0.31 0.02 -7.23 1 5 0 60 211.265 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrahydropyran-4-amine (2S,4R)-2-methyl-N-[(3-methyl-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) 0.31 1.2 -47.08 2 5 1 65 212.273 3 ↓
Hi High (pH 8-9.5) 0.31 -0.01 -7.48 1 5 0 60 211.265 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrahydropyran-4-amine (2S,4S)-2-methyl-N-[(3-methyl-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) 0.31 1.48 -47.56 2 5 1 65 212.273 3 ↓
Hi High (pH 8-9.5) 0.31 0.29 -7.29 1 5 0 60 211.265 3 ↓

Parameters Provided:

ring.id = 327761
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 = 327761 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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