UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (7Z)-7-(2-furylmethylene)-3-(2-methoxyethyl)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-7-(2-furylmethylene)-3-(2-m…

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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) 2.47 5.29 -12.33 0 6 0 65 341.363 4 ↓
Lo Low (pH 4.5-6) 2.47 8.16 -47.92 1 6 1 66 342.371 4 ↓

Analogs

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Popular Name: (7Z)-7-(2-furylmethylene)-3-isopropyl-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-7-(2-furylmethylene)-3-isop…

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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) 3.15 6.53 -10.05 0 5 0 56 325.364 2 ↓
Mid Mid (pH 6-8) 3.15 9.49 -45 1 5 1 57 326.372 2 ↓

Analogs

41588631
41588631

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Popular Name: (7Z)-7-(2-furylmethylene)-3-(3-methoxypropyl)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-7-(2-furylmethylene)-3-(3-m…

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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) 2.74 5.98 -11.96 0 6 0 65 355.39 5 ↓
Lo Low (pH 4.5-6) 2.74 8.83 -51.45 1 6 1 66 356.398 5 ↓

Analogs

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Popular Name: (7Z)-7-(2-furylmethylene)-3-isobutyl-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-7-(2-furylmethylene)-3-isob…

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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) 3.60 7.95 -10.12 0 5 0 56 339.391 3 ↓
Mid Mid (pH 6-8) 3.60 10.44 -47.71 1 5 1 57 340.399 3 ↓

Analogs

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Popular Name: (7Z)-3-(2-methoxyethyl)-9-methyl-7-[(5-methyl-2-furyl)methylene]-2,4-dihydrofuro[3,2-g][1,3]benzoxaz (7Z)-3-(2-methoxyethyl)-9-methyl…

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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) 2.69 6.11 -12.52 0 6 0 65 355.39 4 ↓
Lo Low (pH 4.5-6) 2.69 8.98 -48.14 1 6 1 66 356.398 4 ↓

Analogs

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Popular Name: (7Z)-3-isopropyl-9-methyl-7-[(5-methyl-2-furyl)methylene]-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-on (7Z)-3-isopropyl-9-methyl-7-[(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) 3.38 7.34 -10.34 0 5 0 56 339.391 2 ↓
Mid Mid (pH 6-8) 3.38 10.33 -45.2 1 5 1 57 340.399 2 ↓

Analogs

41587459
41587459

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Popular Name: (7Z)-3-(3-methoxypropyl)-9-methyl-7-[(5-methyl-2-furyl)methylene]-2,4-dihydrofuro[3,2-g][1,3]benzoxa (7Z)-3-(3-methoxypropyl)-9-methy…

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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) 2.96 6.79 -12.12 0 6 0 65 369.417 5 ↓
Lo Low (pH 4.5-6) 2.96 9.66 -51.7 1 6 1 66 370.425 5 ↓

Analogs

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Popular Name: (7Z)-3-isobutyl-9-methyl-7-[(5-methyl-2-furyl)methylene]-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-3-isobutyl-9-methyl-7-[(5-m…

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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) 3.83 8.75 -10.28 0 5 0 56 353.418 3 ↓
Mid Mid (pH 6-8) 3.83 11.25 -48.01 1 5 1 57 354.426 3 ↓

Parameters Provided:

ring.id = 550709
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 = 550709 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=550709&filter.purchasability=annotated

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