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

Analogs

23358301
23358301

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[[1-(2-methoxyethyl)-4-piperidy N-(2,1,3-benzoxadiazol-4-ylmethy…

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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) 3.24 10.24 -115.93 2 7 2 60 417.598 10 ↓
Hi High (pH 8-9.5) 3.24 7.92 -36.91 1 7 1 59 416.59 10 ↓
Mid Mid (pH 6-8) 3.24 10.48 -100.35 2 7 2 60 417.598 10 ↓

Analogs

23358298
23358298

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[1-(2-methoxyethyl)-4-piperidy N-(2,1,3-benzoxadiazol-4-ylmethy…

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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) 3.24 9.31 -121.18 2 7 2 60 417.598 10 ↓
Hi High (pH 8-9.5) 3.24 7.52 -34.06 1 7 1 59 416.59 10 ↓
Mid Mid (pH 6-8) 3.24 9.4 -82.63 2 7 2 60 417.598 10 ↓

Parameters Provided:

ring.id = 138597
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 = 138597 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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