UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41586699
41586699
41586709
41586709

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Popular Name: 7-isopropylidene-9-methyl-3-(p-tolylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one 7-isopropylidene-9-methyl-3-(p-t…

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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) 4.30 8.58 -8.49 0 4 0 43 349.43 2 ↓
Lo Low (pH 4.5-6) 4.30 11.45 -48.67 1 4 1 44 350.438 2 ↓

Analogs

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Popular Name: 3-[(2-chlorophenyl)methyl]-7-isopropylidene-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one 3-[(2-chlorophenyl)methyl]-7-iso…

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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) 4.48 8.51 -9.31 0 4 0 43 369.848 2 ↓

Analogs

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Popular Name: 3-[(4-fluorophenyl)methyl]-7-isopropylidene-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one 3-[(4-fluorophenyl)methyl]-7-iso…

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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 7.96 -9.84 0 4 0 43 353.393 2 ↓
Lo Low (pH 4.5-6) 4.01 10.84 -55.2 1 4 1 44 354.401 2 ↓

Analogs

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Popular Name: 3-[(4-chlorophenyl)methyl]-7-isopropylidene-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one 3-[(4-chlorophenyl)methyl]-7-iso…

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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) 4.53 8.41 -9.17 0 4 0 43 369.848 2 ↓
Lo Low (pH 4.5-6) 4.53 11.29 -54.07 1 4 1 44 370.856 2 ↓

Analogs

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Popular Name: 3-[(3,4-dimethoxyphenyl)methyl]-7-isopropylidene-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-on 3-[(3,4-dimethoxyphenyl)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) 3.50 7.1 -12.69 0 6 0 61 395.455 4 ↓
Lo Low (pH 4.5-6) 3.50 9.97 -56.28 1 6 1 62 396.463 4 ↓

Analogs

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Popular Name: 3-[(2,4-dichlorophenyl)methyl]-7-isopropylidene-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one 3-[(2,4-dichlorophenyl)methyl]-7…

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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) 5.13 9.04 -9.83 0 4 0 43 404.293 2 ↓

Analogs

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Popular Name: 3-[(3,4-dichlorophenyl)methyl]-7-isopropylidene-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one 3-[(3,4-dichlorophenyl)methyl]-7…

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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) 5.13 8.87 -10 0 4 0 43 404.293 2 ↓
Lo Low (pH 4.5-6) 5.13 11.75 -57.44 1 4 1 44 405.301 2 ↓

Analogs

41586689
41586689

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Popular Name: 7-isopropylidene-9-methyl-3-[(1S)-1-phenylethyl]-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one 7-isopropylidene-9-methyl-3-[(1S…

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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) 4.41 8.96 -7.41 0 4 0 43 349.43 2 ↓
Lo Low (pH 4.5-6) 4.41 11.43 -44.4 1 4 1 44 350.438 2 ↓

Analogs

41586688
41586688

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Popular Name: 7-isopropylidene-9-methyl-3-[(1R)-1-phenylethyl]-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one 7-isopropylidene-9-methyl-3-[(1R…

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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) 4.41 8.82 -7.91 0 4 0 43 349.43 2 ↓
Lo Low (pH 4.5-6) 4.41 11.41 -44.51 1 4 1 44 350.438 2 ↓

Analogs

41586709
41586709
41586711
41586711
41586674
41586674

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Popular Name: 3-benzyl-7-isopropylidene-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one 3-benzyl-7-isopropylidene-9-meth…

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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) 3.85 7.9 -8.49 0 4 0 43 335.403 2 ↓
Lo Low (pH 4.5-6) 3.85 10.77 -48.61 1 4 1 44 336.411 2 ↓

Analogs

41586711
41586711
41586674
41586674
41586699
41586699

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Popular Name: 7-isopropylidene-3-[(4-methoxyphenyl)methyl]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one 7-isopropylidene-3-[(4-methoxyph…

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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) 3.91 7.21 -10.28 0 5 0 52 365.429 3 ↓
Lo Low (pH 4.5-6) 3.91 10.07 -52.17 1 5 1 53 366.437 3 ↓

Analogs

41652158
41652158
41652217
41652217
41652227
41652227
41586699
41586699
41586709
41586709

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Popular Name: 7-isopropylidene-3-[(2-methoxyphenyl)methyl]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one 7-isopropylidene-3-[(2-methoxyph…

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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 7.34 -9.63 0 5 0 52 365.429 3 ↓
Lo Low (pH 4.5-6) 3.86 10.24 -44.27 1 5 1 53 366.437 3 ↓

Parameters Provided:

ring.id = 550551
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 = 550551 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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