UCSF
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Analogs

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

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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) 2.85 6.66 -9.87 0 5 0 56 323.348 2 ↓
Mid Mid (pH 6-8) 2.85 9.63 -41.42 1 5 1 57 324.356 2 ↓

Analogs

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Popular Name: (2Z)-8-cyclopropyl-4-methyl-2-[(5-methyl-2-furyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3- (2Z)-8-cyclopropyl-4-methyl-2-[(…

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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) 3.07 7.48 -10.09 0 5 0 56 337.375 2 ↓
Mid Mid (pH 6-8) 3.07 10.45 -41.41 1 5 1 57 338.383 2 ↓

Analogs

13691029
13691029
20624828
20624828
13722336
13722336

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-cyclopropyl-2-(2-furylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclopropyl-2-(2-furylmet…

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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) 2.47 6.01 -9.89 0 5 0 56 309.321 2 ↓
Mid Mid (pH 6-8) 2.47 8.99 -41.69 1 5 1 57 310.329 2 ↓

Analogs

20624828
20624828
13691029
13691029
32502558
32502558

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-cyclopropyl-2-[(5-methyl-2-furyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclopropyl-2-[(5-methyl-…

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) 2.69 6.84 -10.06 0 5 0 56 323.348 2 ↓
Mid Mid (pH 6-8) 2.69 9.81 -41.66 1 5 1 57 324.356 2 ↓

Parameters Provided:

ring.id = 560490
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 = 560490 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=560490&filter.purchasability=annotated

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