UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12442669
12442669
12442578
12442578

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Popular Name: (2Z)-8-(2-methoxyethyl)-4-methyl-2-[(E)-3-phenylprop-2-enylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-8-(2-methoxyethyl)-4-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) 3.96 7.7 -10.63 0 5 0 52 377.44 5 ↓
Lo Low (pH 4.5-6) 3.96 10.55 -45.08 1 5 1 53 378.448 5 ↓

Analogs

12442578
12442578
12442513
12442513
12442511
12442511

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Popular Name: (2Z)-8-isopropyl-4-methyl-2-[(E)-3-phenylprop-2-enylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-o (2Z)-8-isopropyl-4-methyl-2-[(E)…

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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) 4.65 8.93 -8.47 0 4 0 43 361.441 3 ↓
Mid Mid (pH 6-8) 4.65 11.91 -42.09 1 4 1 44 362.449 3 ↓

Analogs

12442578
12442578

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Popular Name: (2Z)-8-(3-methoxypropyl)-4-methyl-2-[(E)-3-phenylprop-2-enylidene]-7,9-dihydrofuro[2,3-f][1,3]benzox (2Z)-8-(3-methoxypropyl)-4-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) 4.24 8.37 -9.97 0 5 0 52 391.467 6 ↓
Lo Low (pH 4.5-6) 4.24 11.24 -48.22 1 5 1 53 392.475 6 ↓

Analogs

12442578
12442578
12442513
12442513
12442511
12442511

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Popular Name: (2Z)-8-isobutyl-4-methyl-2-[(E)-3-phenylprop-2-enylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-on (2Z)-8-isobutyl-4-methyl-2-[(E)-…

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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) 5.10 10.36 -8.57 0 4 0 43 375.468 4 ↓
Mid Mid (pH 6-8) 5.10 12.84 -44.39 1 4 1 44 376.476 4 ↓

Analogs

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Popular Name: (2E)-8-(2-methoxyethyl)-2-[(E)-3-phenylprop-2-enylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2E)-8-(2-methoxyethyl)-2-[(E)-3…

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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) 3.59 6.99 -11.39 0 5 0 52 363.413 5 ↓
Lo Low (pH 4.5-6) 3.59 9.87 -45.68 1 5 1 53 364.421 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-8-isopropyl-2-[(E)-3-phenylprop-2-enylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2E)-8-isopropyl-2-[(E)-3-phenyl…

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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) 4.28 8.23 -9.17 0 4 0 43 347.414 3 ↓
Mid Mid (pH 6-8) 4.28 11.22 -42.62 1 4 1 44 348.422 3 ↓

Analogs

12442614
12442614
12442616
12442616
12442693
12442693

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Popular Name: (2E)-8-(3-methoxypropyl)-2-[(E)-3-phenylprop-2-enylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-on (2E)-8-(3-methoxypropyl)-2-[(E)-…

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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) 3.86 7.68 -10.72 0 5 0 52 377.44 6 ↓
Lo Low (pH 4.5-6) 3.86 10.54 -48.69 1 5 1 53 378.448 6 ↓

Analogs

12442614
12442614
12442616
12442616
12442691
12442691

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-8-isobutyl-2-[(E)-3-phenylprop-2-enylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2E)-8-isobutyl-2-[(E)-3-phenylp…

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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) 4.73 9.64 -8.94 0 4 0 43 361.441 4 ↓
Mid Mid (pH 6-8) 4.73 12.15 -45.38 1 4 1 44 362.449 4 ↓

Parameters Provided:

ring.id = 561351
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 = 561351 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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