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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

11838622
11838622

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Popular Name: 2-[(2R)-8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[3-(3-pyridyloxy)propyl]acetamide 2-[(2R)-8-methoxy-2-methyl-3,5-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) 2.50 -2.01 -49.28 2 7 1 74 386.472 8 ↓
Lo Low (pH 4.5-6) 2.50 -1.9 -88.99 3 7 2 75 387.48 8 ↓

Analogs

11838619
11838619

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Popular Name: 2-[(2S)-8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[3-(3-pyridyloxy)propyl]acetamide 2-[(2S)-8-methoxy-2-methyl-3,5-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) 2.50 -2.04 -49.38 2 7 1 74 386.472 8 ↓
Lo Low (pH 4.5-6) 2.50 -1.93 -89.09 3 7 2 75 387.48 8 ↓

Analogs

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Popular Name: 2-[(2R)-2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[3-(3-pyridyloxy)propyl]acetamide 2-[(2R)-2-ethyl-7-methoxy-3,5-di…

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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) 3.00 -1.55 -46.62 2 7 1 74 400.499 9 ↓
Lo Low (pH 4.5-6) 3.00 -1.44 -85.62 3 7 2 75 401.507 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[3-(3-pyridyloxy)propyl]acetamide 2-[(2S)-2-ethyl-7-methoxy-3,5-di…

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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) 3.00 -1.55 -46.58 2 7 1 74 400.499 9 ↓
Lo Low (pH 4.5-6) 3.00 -1.44 -85.54 3 7 2 75 401.507 9 ↓

Parameters Provided:

ring.id = 57738
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 = 57738 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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