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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11839479
11839479

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Popular Name: 1-(4-acetylpiperazin-1-yl)-3-[(2R)-7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-o 1-(4-acetylpiperazin-1-yl)-3-[(2…

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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) 1.50 -0.2 -56.63 1 6 1 54 380.896 3 ↓

Analogs

11839478
11839478

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-acetylpiperazin-1-yl)-3-[(2S)-7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-o 1-(4-acetylpiperazin-1-yl)-3-[(2…

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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) 1.50 -0.3 -56.34 1 6 1 54 380.896 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-piperazin-1-yl-propan-1-one 3-(3,5-dihydro-2H-1,4-benzoxazep…

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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) 0.53 6.08 -102.2 3 5 2 51 291.395 3 ↓
Hi High (pH 8-9.5) 0.53 2.71 -9.87 1 5 0 45 289.379 3 ↓
Mid Mid (pH 6-8) 0.53 4.79 -42.96 2 5 1 46 290.387 3 ↓

Parameters Provided:

ring.id = 58322
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 = 58322 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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