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

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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) 2.30 6.11 -8.28 0 5 0 56 334.375 2 ↓
Mid Mid (pH 6-8) 2.30 9.08 -43.97 1 5 1 57 335.383 2 ↓
Lo Low (pH 4.5-6) 2.30 9.55 -96.26 2 5 2 58 336.391 2 ↓

Analogs

13735017
13735017
20649708
20649708
20646773
20646773

Draw Identity 99% 90% 80% 70%

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

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) 1.92 5.48 -8.39 0 5 0 56 320.348 2 ↓
Mid Mid (pH 6-8) 1.92 8.45 -44.21 1 5 1 57 321.356 2 ↓
Lo Low (pH 4.5-6) 1.92 8.92 -96.45 2 5 2 58 322.364 2 ↓

Parameters Provided:

ring.id = 561019
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 = 561019 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=561019&filter.purchasability=annotated

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