UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[2-(4-diethylaminophenyl)-6-methyl-benzotriazol-5-yl]-2-(2-naphthyloxy)acetamide N-[2-(4-diethylaminophenyl)-6-me…

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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) 5.88 14.52 -60.19 2 7 0 73 480.592 8 ↓
Mid Mid (pH 6-8) 5.88 14.39 -23.95 1 7 0 72 479.584 8 ↓

Analogs

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Popular Name: N-[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]-2-(2-naphthyloxy)acetamide N-[2-(4-butylphenyl)-6-chloro-be…

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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) 7.12 14.83 -19.68 1 6 0 69 484.987 8 ↓

Parameters Provided:

ring.id = 114091
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 = 114091 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=114091&filter.purchasability=annotated

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