UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (7Z)-7-(1,3-benzodioxol-5-ylmethylene)-9-methyl-3-(p-tolylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxa (7Z)-7-(1,3-benzodioxol-5-ylmeth…

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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) 4.96 9.62 -12.18 0 6 0 61 441.483 3 ↓
Lo Low (pH 4.5-6) 4.96 12.51 -53.12 1 6 1 62 442.491 3 ↓

Analogs

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Popular Name: (7Z)-7-(1,3-benzodioxol-5-ylmethylene)-3-[(2-chlorophenyl)methyl]-9-methyl-2,4-dihydrofuro[3,2-g][1, (7Z)-7-(1,3-benzodioxol-5-ylmeth…

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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) 5.14 9.55 -13.03 0 6 0 61 461.901 3 ↓

Analogs

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Popular Name: (7Z)-7-(1,3-benzodioxol-5-ylmethylene)-3-[(4-chlorophenyl)methyl]-9-methyl-2,4-dihydrofuro[3,2-g][1, (7Z)-7-(1,3-benzodioxol-5-ylmeth…

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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) 5.19 9.47 -12.96 0 6 0 61 461.901 3 ↓
Lo Low (pH 4.5-6) 5.19 12.34 -58.58 1 6 1 62 462.909 3 ↓

Analogs

41587060
41587060
41587095
41587095
41587392
41587392
41587502
41587502
41587533
41587533

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Popular Name: (7Z)-7-(1,3-benzodioxol-5-ylmethylene)-3-[(3,4-dimethoxyphenyl)methyl]-9-methyl-2,4-dihydrofuro[3,2- (7Z)-7-(1,3-benzodioxol-5-ylmeth…

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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) 4.16 8.14 -16.49 0 8 0 80 487.508 5 ↓
Lo Low (pH 4.5-6) 4.16 11.03 -60.74 1 8 1 81 488.516 5 ↓

Analogs

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Popular Name: (7Z)-7-(1,3-benzodioxol-5-ylmethylene)-3-[(2,4-dichlorophenyl)methyl]-9-methyl-2,4-dihydrofuro[3,2-g (7Z)-7-(1,3-benzodioxol-5-ylmeth…

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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) 5.80 10.06 -13.44 0 6 0 61 496.346 3 ↓

Analogs

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Popular Name: (7Z)-7-(1,3-benzodioxol-5-ylmethylene)-3-[(3,4-dichlorophenyl)methyl]-9-methyl-2,4-dihydrofuro[3,2-g (7Z)-7-(1,3-benzodioxol-5-ylmeth…

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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) 5.80 9.92 -13.86 0 6 0 61 496.346 3 ↓
Lo Low (pH 4.5-6) 5.80 12.8 -62.04 1 6 1 62 497.354 3 ↓

Analogs

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Popular Name: (7Z)-7-(1,3-benzodioxol-5-ylmethylene)-9-methyl-3-[(1S)-1-phenylethyl]-2,4-dihydrofuro[3,2-g][1,3]be (7Z)-7-(1,3-benzodioxol-5-ylmeth…

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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) 5.07 10.01 -11.23 0 6 0 61 441.483 3 ↓
Lo Low (pH 4.5-6) 5.07 12.48 -48.86 1 6 1 62 442.491 3 ↓

Analogs

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Popular Name: (7Z)-7-(1,3-benzodioxol-5-ylmethylene)-9-methyl-3-[(1R)-1-phenylethyl]-2,4-dihydrofuro[3,2-g][1,3]be (7Z)-7-(1,3-benzodioxol-5-ylmeth…

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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) 5.07 9.75 -11.4 0 6 0 61 441.483 3 ↓
Lo Low (pH 4.5-6) 5.07 12.46 -48.49 1 6 1 62 442.491 3 ↓

Analogs

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Popular Name: (7Z)-7-(1,3-benzodioxol-5-ylmethylene)-3-benzyl-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-7-(1,3-benzodioxol-5-ylmeth…

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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) 4.51 8.95 -12.22 0 6 0 61 427.456 3 ↓
Lo Low (pH 4.5-6) 4.51 11.82 -53 1 6 1 62 428.464 3 ↓

Analogs

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Popular Name: (7Z)-7-(1,3-benzodioxol-5-ylmethylene)-3-[(4-methoxyphenyl)methyl]-9-methyl-2,4-dihydrofuro[3,2-g][1 (7Z)-7-(1,3-benzodioxol-5-ylmeth…

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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) 4.57 8.25 -14.04 0 7 0 70 457.482 4 ↓
Lo Low (pH 4.5-6) 4.57 11.12 -56.62 1 7 1 72 458.49 4 ↓

Analogs

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Popular Name: (7Z)-7-(1,3-benzodioxol-5-ylmethylene)-3-[(2-methoxyphenyl)methyl]-9-methyl-2,4-dihydrofuro[3,2-g][1 (7Z)-7-(1,3-benzodioxol-5-ylmeth…

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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) 4.52 8.39 -13.27 0 7 0 70 457.482 4 ↓
Lo Low (pH 4.5-6) 4.52 11.27 -48.61 1 7 1 72 458.49 4 ↓

Parameters Provided:

ring.id = 550993
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 = 550993 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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