UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) 4.39 8.29 -9.4 0 5 0 56 365.429 2 ↓
Mid Mid (pH 6-8) 4.39 11.27 -42.94 1 5 1 57 366.437 2 ↓

Analogs

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

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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) 4.61 9.11 -9.63 0 5 0 56 379.456 2 ↓
Mid Mid (pH 6-8) 4.61 12.09 -42.84 1 5 1 57 380.464 2 ↓

Analogs

13691029
13691029
20624828
20624828
32502558
32502558

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

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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) 4.01 7.64 -9.37 0 5 0 56 351.402 2 ↓
Mid Mid (pH 6-8) 4.01 10.63 -43.24 1 5 1 57 352.41 2 ↓

Analogs

20624828
20624828
13691029
13691029
13690391
13690391

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Popular Name: (2E)-8-cyclohexyl-2-[(5-methyl-2-furyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2E)-8-cyclohexyl-2-[(5-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) 4.23 8.97 -10.13 0 5 0 56 365.429 2 ↓
Mid Mid (pH 6-8) 4.23 11.95 -45.35 1 5 1 57 366.437 2 ↓

Parameters Provided:

ring.id = 560496
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 = 560496 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=560496&filter.purchasability=annotated

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