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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-cyclopropyl-2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-methyl-acetamide N-cyclopropyl-2-[4-(2,2-dimethyl…

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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) 1.25 7.83 -40.39 1 5 1 45 296.435 4 ↓
Hi High (pH 8-9.5) 1.25 6.13 -11.11 0 5 0 44 295.427 4 ↓

Analogs

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Popular Name: 2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-cyclopropyl-N-ethyl-acetamide 2-[4-(3-aminopropyl)-1,4-diazepa…

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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) -0.33 2.4 -45.85 3 5 1 54 283.44 7 ↓
Lo Low (pH 4.5-6) -0.33 4.29 -106.17 4 5 2 56 284.448 7 ↓

Analogs

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Popular Name: 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-cyclopropyl-N-ethyl-acetamide 2-[4-(2-aminoethyl)-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) -0.60 3.95 -93.61 4 5 2 56 270.421 6 ↓
Hi High (pH 8-9.5) -0.60 3.47 -37.24 3 5 1 54 269.413 6 ↓

Analogs

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Popular Name: 2-[4-(4-aminobutyl)-1,4-diazepan-1-yl]-N-cyclopropyl-N-ethyl-acetamide 2-[4-(4-aminobutyl)-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) -0.06 5.52 -87.55 4 5 2 56 298.475 8 ↓

Analogs

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Popular Name: 2-[4-[(2S)-3-amino-2-methyl-propyl]-1,4-diazepan-1-yl]-N-cyclopropyl-N-ethyl-acetamide 2-[4-[(2S)-3-amino-2-methyl-prop…

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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) 0.15 3.39 -47.38 3 5 1 54 297.467 7 ↓
Lo Low (pH 4.5-6) 0.15 5.1 -106.19 4 5 2 56 298.475 7 ↓

Analogs

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Popular Name: N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-methyl-acetamide N-cyclopropyl-2-(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) -0.37 3.5 -37.71 2 4 1 37 212.317 3 ↓
Lo Low (pH 4.5-6) -0.37 4.81 -113.24 3 4 2 41 213.325 3 ↓
Lo Low (pH 4.5-6) -0.37 2.83 -42.77 2 4 1 40 212.317 3 ↓

Analogs

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Popular Name: 2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-cyclopropyl-N-methyl-acetamide 2-[4-(3-aminopropyl)-1,4-diazepa…

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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) -0.70 1.67 -46.23 3 5 1 54 269.413 6 ↓
Lo Low (pH 4.5-6) -0.70 3.57 -106.14 4 5 2 56 270.421 6 ↓

Analogs

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Popular Name: 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-cyclopropyl-N-methyl-acetamide 2-[4-(2-aminoethyl)-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) -0.97 3.13 -94.01 4 5 2 56 256.394 5 ↓
Hi High (pH 8-9.5) -0.97 2.74 -37.89 3 5 1 54 255.386 5 ↓

Analogs

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Popular Name: 2-[4-(4-aminobutyl)-1,4-diazepan-1-yl]-N-cyclopropyl-N-methyl-acetamide 2-[4-(4-aminobutyl)-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) -0.43 4.69 -87.9 4 5 2 56 284.448 7 ↓

Analogs

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Popular Name: 2-[4-[(2S)-3-amino-2-methyl-propyl]-1,4-diazepan-1-yl]-N-cyclopropyl-N-methyl-acetamide 2-[4-[(2S)-3-amino-2-methyl-prop…

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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 2.54 -47.89 3 5 1 54 283.44 6 ↓
Lo Low (pH 4.5-6) -0.23 4.31 -106.47 4 5 2 56 284.448 6 ↓

Analogs

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Popular Name: 2-[4-[(2R)-3-amino-2-methyl-propyl]-1,4-diazepan-1-yl]-N-cyclopropyl-N-methyl-acetamide 2-[4-[(2R)-3-amino-2-methyl-prop…

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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 2.74 -47.44 3 5 1 54 283.44 6 ↓
Lo Low (pH 4.5-6) -0.23 4.25 -105.77 4 5 2 56 284.448 6 ↓

Analogs

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Popular Name: 2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-cyclopropyl-N-methyl-acetamide 2-[4-(5-aminopentyl)-1,4-diazepa…

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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 5.47 -86.27 4 5 2 56 298.475 8 ↓

Analogs

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Popular Name: 2-[4-[(1S)-3-amino-1-ethyl-propyl]-1,4-diazepan-1-yl]-N-cyclopropyl-N-methyl-acetamide 2-[4-[(1S)-3-amino-1-ethyl-propy…

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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 2.87 -48.24 3 5 1 54 297.467 7 ↓
Lo Low (pH 4.5-6) 0.16 4.31 -109.1 4 5 2 56 298.475 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(1R)-3-amino-1-ethyl-propyl]-1,4-diazepan-1-yl]-N-cyclopropyl-N-methyl-acetamide 2-[4-[(1R)-3-amino-1-ethyl-propy…

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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 3.22 -43.02 3 5 1 54 297.467 7 ↓
Lo Low (pH 4.5-6) 0.16 4.8 -104.65 4 5 2 56 298.475 7 ↓

Parameters Provided:

ring.id = 270853
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 = 270853 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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