UCSF
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Analogs

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

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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) 2.56 6.06 -10.19 0 5 0 56 336.391 2 ↓
Lo Low (pH 4.5-6) 2.56 6.51 -41.69 1 5 1 57 337.399 2 ↓

Analogs

20646773
20646773
9423372
9423372
9422600
9422600

Draw Identity 99% 90% 80% 70%

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

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) 2.19 5.42 -10.25 0 5 0 56 322.364 2 ↓
Lo Low (pH 4.5-6) 2.19 5.88 -41.81 1 5 1 57 323.372 2 ↓

Parameters Provided:

ring.id = 559585
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 = 559585 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=559585&filter.purchasability=annotated

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