UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9423004
9423004
9423749
9423749
13692664
13692664

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Popular Name: (2Z)-4-methyl-8-(2-pyridylmethyl)-2-(2-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-4-methyl-8-(2-pyridylmethyl…

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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) 2.28 6.98 -13.87 0 6 0 68 385.423 3 ↓
Mid Mid (pH 6-8) 2.28 7.72 -42.28 1 6 1 70 386.431 3 ↓

Analogs

9423749
9423749
13692664
13692664
9423004
9423004

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(2-pyridylmethyl)-2-(2-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-(2-pyridylmethyl)-2-(2-py…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.90 6.33 -13.78 0 6 0 68 371.396 3 ↓
Mid Mid (pH 6-8) 1.90 7.06 -42.42 1 6 1 70 372.404 3 ↓

Parameters Provided:

ring.id = 562053
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 = 562053 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=562053&filter.purchasability=annotated

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