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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: N,N-diethyl-2-[4-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]acetamide N,N-diethyl-2-[4-[(5-isopropyl-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) 1.14 5.87 -41.82 1 7 1 67 338.476 7 ↓
Hi High (pH 8-9.5) 1.14 3.87 -12.84 0 7 0 66 337.468 7 ↓

Analogs

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Popular Name: 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]acetonitrile 2-[4-[(5-methyl-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) -0.23 0.59 -11.47 0 6 0 69 235.291 3 ↓
Mid Mid (pH 6-8) -0.23 2.66 -42.91 1 6 1 70 236.299 3 ↓

Analogs

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Popular Name: 3-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]propanenitrile 3-[4-[(5-methyl-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) -0.56 1.15 -11.63 0 6 0 69 249.318 4 ↓
Mid Mid (pH 6-8) -0.56 3.24 -52.62 1 6 1 70 250.326 4 ↓
Mid Mid (pH 6-8) -0.56 3.19 -43.77 1 6 1 70 250.326 4 ↓

Analogs

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Popular Name: 5-[4-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pentanenitrile 5-[4-[(5-isopropyl-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) 1.27 6.15 -49.48 1 6 1 70 306.434 7 ↓
Hi High (pH 8-9.5) 1.27 4.08 -11.79 0 6 0 69 305.426 7 ↓
Mid Mid (pH 6-8) 1.27 6.12 -41.75 1 6 1 70 306.434 7 ↓

Analogs

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Popular Name: 5-isopropyl-3-[[4-(3-methylsulfonylpropyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole 5-isopropyl-3-[[4-(3-methylsulfo…

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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) 0.71 2.43 -53.58 1 7 1 81 345.489 7 ↓
Mid Mid (pH 6-8) 0.71 0.35 -18.61 0 7 0 80 344.481 7 ↓
Mid Mid (pH 6-8) 0.71 2.38 -46.61 1 7 1 81 345.489 7 ↓

Analogs

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Popular Name: (2R)-2-[[4-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]methyl]pentanedinitrile (2R)-2-[[4-[(5-isopropyl-1,2,4-o…

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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) 0.92 5.02 -17.64 0 7 0 93 330.436 7 ↓
Mid Mid (pH 6-8) 0.92 7.03 -46.8 1 7 1 94 331.444 7 ↓

Analogs

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Popular Name: 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane 1-[(5-ethyl-1,2,4-oxadiazol-3-yl…

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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 0.6 -42.22 2 5 1 59 211.289 3 ↓

Analogs

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Popular Name: 1-{[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-1,4-diazepane dihydrochloride 1-{[5-(propan-2-yl)-1,2,4-oxadia…

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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) 0.45 1.21 -41.85 2 5 1 59 225.316 3 ↓

Analogs

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Popular Name: 3-(1,4-diazepan-1-ylmethyl)-5-propyl-1,2,4-oxadiazole 3-(1,4-diazepan-1-ylmethyl)-5-pr…

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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 1.82 -42.73 2 5 1 59 225.316 4 ↓

Parameters Provided:

ring.id = 94727
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 = 94727 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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