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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-benzylsulfanyl-benzofuro[3,2-d]pyrimidin-4-one 3-(1,3-benzodioxol-5-ylmethyl)-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) 5.47 12.39 -18.15 0 6 0 67 442.496 5 ↓

Analogs

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Popular Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(o-tolylmethylsulfanyl)benzofuro[3,2-d]pyrimidin-4-one 3-(1,3-benzodioxol-5-ylmethyl)-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) 5.88 12.92 -17.91 0 6 0 67 456.523 5 ↓

Analogs

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Popular Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(m-tolylmethylsulfanyl)benzofuro[3,2-d]pyrimidin-4-one 3-(1,3-benzodioxol-5-ylmethyl)-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) 5.90 13.06 -18 0 6 0 67 456.523 5 ↓

Analogs

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Popular Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(p-tolylmethylsulfanyl)benzofuro[3,2-d]pyrimidin-4-one 3-(1,3-benzodioxol-5-ylmethyl)-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) 5.92 13.07 -18.14 0 6 0 67 456.523 5 ↓

Analogs

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Popular Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]benzofuro[3,2-d]pyrimidin-4-one 3-(1,3-benzodioxol-5-ylmethyl)-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) 6.30 13.6 -17.82 0 6 0 67 470.55 5 ↓

Analogs

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Popular Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(3,4-dimethylphenyl)methylsulfanyl]benzofuro[3,2-d]pyrimidin-4-one 3-(1,3-benzodioxol-5-ylmethyl)-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) 6.30 13.61 -18.04 0 6 0 67 470.55 5 ↓

Analogs

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Popular Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-tert-butylphenyl)methylsulfanyl]benzofuro[3,2-d]pyrimidin-4-one 3-(1,3-benzodioxol-5-ylmethyl)-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) 7.18 14.73 -17.76 0 6 0 67 498.604 6 ↓

Analogs

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Popular Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-vinylphenyl)methylsulfanyl]benzofuro[3,2-d]pyrimidin-4-one 3-(1,3-benzodioxol-5-ylmethyl)-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) 6.33 13.48 -18.46 0 6 0 67 468.534 6 ↓

Analogs

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Popular Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methoxyphenyl)methylsulfanyl]benzofuro[3,2-d]pyrimidin-4-one 3-(1,3-benzodioxol-5-ylmethyl)-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) 5.51 11.69 -19.29 0 7 0 76 472.522 6 ↓

Analogs

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Popular Name: 3-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-benzofuro[3,2-d]pyrimidin-2-yl]sulfanylmethyl]benzonitrile 3-[[3-(1,3-benzodioxol-5-ylmethy…

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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) 5.21 12.78 -19.88 0 7 0 90 467.506 5 ↓

Analogs

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Popular Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)methylsulfanyl]benzofuro[3,2-d]pyrimidin-4-one 3-(1,3-benzodioxol-5-ylmethyl)-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) 5.59 12.41 -19.36 0 6 0 67 460.486 5 ↓

Analogs

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Popular Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(3-fluorophenyl)methylsulfanyl]benzofuro[3,2-d]pyrimidin-4-one 3-(1,3-benzodioxol-5-ylmethyl)-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) 5.62 12.46 -16.5 0 6 0 67 460.486 5 ↓

Analogs

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Popular Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)methylsulfanyl]benzofuro[3,2-d]pyrimidin-4-one 3-(1,3-benzodioxol-5-ylmethyl)-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) 5.64 12.46 -16.19 0 6 0 67 460.486 5 ↓

Analogs

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Popular Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(3,5-difluorophenyl)methylsulfanyl]benzofuro[3,2-d]pyrimidin-4-one 3-(1,3-benzodioxol-5-ylmethyl)-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) 5.73 12.53 -16.01 0 6 0 67 478.476 5 ↓

Analogs

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Popular Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chlorophenyl)methylsulfanyl]benzofuro[3,2-d]pyrimidin-4-one 3-(1,3-benzodioxol-5-ylmethyl)-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) 6.11 12.82 -18.76 0 6 0 67 476.941 5 ↓

Analogs

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Popular Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chlorophenyl)methylsulfanyl]benzofuro[3,2-d]pyrimidin-4-one 3-(1,3-benzodioxol-5-ylmethyl)-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) 6.13 12.9 -15.87 0 6 0 67 476.941 5 ↓

Parameters Provided:

ring.id = 512571
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 512571 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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