UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[4-[(2S)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]-3-tetradecoxy-propoxy]phenyl]-4H-1,2,4-oxadi 3-[4-[(2S)-2-[4-(5-oxo-4H-1,2,4-…

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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) 8.80 13.74 -52.88 1 11 -1 149 607.728 22 ↓
Mid Mid (pH 6-8) 8.57 16.28 -20.09 2 11 0 145 608.736 22 ↓
Lo Low (pH 4.5-6) 8.80 13.73 -53.11 1 11 -1 149 607.728 22 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-[(2R)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]-3-tetradecoxy-propoxy]phenyl]-4H-1,2,4-oxadi 3-[4-[(2R)-2-[4-(5-oxo-4H-1,2,4-…

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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) 8.80 13.84 -52.3 1 11 -1 149 607.728 22 ↓
Mid Mid (pH 6-8) 8.57 16.37 -19.11 2 11 0 145 608.736 22 ↓
Lo Low (pH 4.5-6) 8.80 13.83 -54.67 1 11 -1 149 607.728 22 ↓

Parameters Provided:

ring.id = 4096
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 = 4096 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=4096&filter.purchasability=annotated

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