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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-methyl-1,4-diazepan-1-yl)-thiazol-4-yl-methanone (4-methyl-1,4-diazepan-1-yl)-thi…

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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 5.56 -40.17 1 4 1 38 226.325 1 ↓
Hi High (pH 8-9.5) 0.71 3.56 -9.51 0 4 0 36 225.317 1 ↓

Analogs

43403597
43403597

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Popular Name: N,N-dimethyl-2-[4-(thiazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide N,N-dimethyl-2-[4-(thiazole-4-ca…

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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) -0.38 5.75 -40.48 1 6 1 58 297.404 3 ↓
Hi High (pH 8-9.5) -0.38 4.04 -14.32 0 6 0 57 296.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(thiazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide 2-[4-(thiazole-4-carbonyl)-1,4-d…

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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 2.51 -42.98 3 6 1 81 269.35 3 ↓
Hi High (pH 8-9.5) -0.56 0.85 -14.76 2 6 0 80 268.342 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-methoxyethyl)-1,4-diazepan-1-yl]-thiazol-4-yl-methanone [4-(2-methoxyethyl)-1,4-diazepan…

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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) 0.69 5.52 -37.31 1 5 1 47 270.378 4 ↓
Hi High (pH 8-9.5) 0.69 3.43 -10.27 0 5 0 46 269.37 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(thiazole-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one 1-[4-(thiazole-4-carbonyl)-1,4-d…

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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) 0.91 5.67 -12.91 0 5 0 54 267.354 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(thiazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone 1-[4-(thiazole-4-carbonyl)-1,4-d…

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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) 0.07 4.88 -13.35 0 5 0 54 253.327 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(2-methylthiazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone 1-[4-(2-methylthiazole-4-carbony…

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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) -0.22 5.64 -12.82 0 5 0 54 267.354 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-(2-methylthiazol-4-yl)methanone (4-methylsulfonyl-1,4-diazepan-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) -0.20 2.68 -13.22 0 6 0 71 303.409 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2-methylthiazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide 2-[4-(2-methylthiazole-4-carbony…

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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) -0.85 3.19 -42.25 3 6 1 81 283.377 3 ↓
Hi High (pH 8-9.5) -0.85 1.54 -14.15 2 6 0 80 282.369 3 ↓

Parameters Provided:

ring.id = 265726
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 = 265726 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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