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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-amino-1,2,5-oxadiazol-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone (4-amino-1,2,5-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) -0.16 3.34 -41.14 3 7 1 90 226.26 1 ↓
Hi High (pH 8-9.5) -0.16 1.36 -5.31 2 7 0 88 225.252 1 ↓

Analogs

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Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-(1,4-diazepan-1-yl)methanone (4-amino-1,2,5-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) -0.75 1.17 -45.99 4 7 1 102 212.233 1 ↓
Hi High (pH 8-9.5) -0.75 -0.12 -5.84 3 7 0 97 211.225 1 ↓

Analogs

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Popular Name: 2-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-1,4-diazepan-1-yl]acetamide 2-[4-(4-amino-1,2,5-oxadiazole-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) -1.43 0.16 -42.15 5 9 1 133 269.285 3 ↓
Hi High (pH 8-9.5) -1.43 -1.43 -9.74 4 9 0 132 268.277 3 ↓

Analogs

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Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone (4-amino-1,2,5-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) -0.17 3.17 -37.84 3 8 1 99 270.313 4 ↓
Hi High (pH 8-9.5) -0.17 1.22 -5.85 2 8 0 98 269.305 4 ↓

Analogs

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Popular Name: 1-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one 1-[4-(4-amino-1,2,5-oxadiazole-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) 0.04 3.36 -12.16 2 8 0 106 267.289 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-1,4-diazepan-1-yl]ethanone 1-[4-(4-amino-1,2,5-oxadiazole-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) -0.80 2.57 -12.43 2 8 0 106 253.262 1 ↓

Parameters Provided:

ring.id = 122736
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 = 122736 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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