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Analogs

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Popular Name: (2Z)-8-cyclopropyl-4-methyl-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclopropyl-4-methyl-2-(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) 3.49 6.9 -7.59 0 4 0 43 339.416 2 ↓
Mid Mid (pH 6-8) 3.49 9.89 -41.66 1 4 1 44 340.424 2 ↓

Analogs

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Popular Name: (2Z)-8-cyclopropyl-4-methyl-2-[(3-methyl-2-thienyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (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) 3.87 7.51 -7.7 0 4 0 43 353.443 2 ↓
Mid Mid (pH 6-8) 3.87 10.49 -41.59 1 4 1 44 354.451 2 ↓

Analogs

22935387
22935387
13690984
13690984
13722960
13722960

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

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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) 3.11 6.26 -7.61 0 4 0 43 325.389 2 ↓
Mid Mid (pH 6-8) 3.11 9.24 -41.92 1 4 1 44 326.397 2 ↓

Analogs

13718957
13718957
13718962
13718962

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-cyclopropyl-2-[(3-methyl-2-thienyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclopropyl-2-[(3-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) 3.49 6.86 -7.74 0 4 0 43 339.416 2 ↓
Mid Mid (pH 6-8) 3.49 9.84 -41.85 1 4 1 44 340.424 2 ↓

Parameters Provided:

ring.id = 559963
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 = 559963 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=559963&filter.purchasability=annotated

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