UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(2-oxoazepan-1-yl)methyl]benzenecarbothioamide 2-[(2-oxoazepan-1-yl)methyl]benz…

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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) 2.23 6.8 -20.2 2 3 0 46 262.378 3 ↓

Analogs

37823059
37823059
37823062
37823062
37823089
37823089
37823090
37823090
37839499
37839499

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Popular Name: 2-[(2-oxoazepan-1-yl)methyl]benzonitrile 2-[(2-oxoazepan-1-yl)methyl]benz…

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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) 2.18 7.41 -6.71 0 3 0 44 228.295 2 ↓

Analogs

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Popular Name: 4-[(2-oxoazepan-1-yl)methyl]benzenecarbothioamide 4-[(2-oxoazepan-1-yl)methyl]benz…

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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) 2.28 6.9 -17.66 2 3 0 46 262.378 3 ↓

Analogs

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Popular Name: 1-[(5-amino-2-chloro-phenyl)methyl]azepan-2-one 1-[(5-amino-2-chloro-phenyl)meth…

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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) 2.16 5.65 -6.81 2 3 0 46 252.745 2 ↓

Analogs

14330811
14330811

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Popular Name: 1-[(2-chloro-5-nitro-phenyl)methyl]azepan-2-one 1-[(2-chloro-5-nitro-phenyl)meth…

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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) 3.04 8.49 -10.95 0 5 0 66 282.727 3 ↓

Analogs

12650493
12650493
37798221
37798221
37798222
37798222
37800430
37800430
37800431
37800431

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Popular Name: (R)-3-amino-1-benzylazepan-2-one (R)-3-amino-1-benzylazepan-2-one

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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) 0.83 4.95 -43.06 3 3 1 48 219.308 2 ↓
Hi High (pH 8-9.5) 0.83 4.63 -10.1 2 3 0 46 218.3 2 ↓

Analogs

18324084
18324084
16477111
16477111

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Popular Name: (2R)-2-(2-oxoazepan-1-yl)-2-phenyl-propanoic (2R)-2-(2-oxoazepan-1-yl)-2-phen…

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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) 2.35 9.04 -58.39 0 4 -1 60 260.313 3 ↓

Analogs

18324084
18324084
16477111
16477111

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Popular Name: (2S)-2-(2-oxoazepan-1-yl)-2-phenyl-propanoic (2S)-2-(2-oxoazepan-1-yl)-2-phen…

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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) 2.35 9.05 -60.88 0 4 -1 60 260.313 3 ↓

Parameters Provided:

ring.id = 47581
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 = 47581 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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