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

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Popular Name: (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-[(4-methyl-1,4-diazepan-1-yl)methyl]piperidin-2-one (3R)-1-[(2,3-dimethoxyphenyl)met…

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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) 0.90 6.79 -29.9 2 7 1 67 392.52 6 ↓
Hi High (pH 8-9.5) 0.90 6.07 -10.06 1 7 0 65 391.512 6 ↓
Lo Low (pH 4.5-6) 0.90 8.77 -111.55 3 7 2 68 393.528 6 ↓

Analogs

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Popular Name: (3R)-3-[(4-ethyl-1,4-diazepan-1-yl)methyl]-3-hydroxy-1-[(4-isopropylphenyl)methyl]piperidin-2-one (3R)-3-[(4-ethyl-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) 2.97 9.02 -28.4 2 5 1 48 388.576 6 ↓
Hi High (pH 8-9.5) 2.97 8.02 -8.29 1 5 0 47 387.568 6 ↓
Mid Mid (pH 6-8) 2.97 10.39 -27.74 2 5 1 48 388.576 6 ↓

Parameters Provided:

ring.id = 533997
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 = 533997 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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