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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: 2-[[5-(2-fluorophenyl)-4-isobutyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d]py 2-[[5-(2-fluorophenyl)-4-isobuty…

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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) 3.32 10.71 -68.47 1 9 -1 130 456.479 7 ↓
Mid Mid (pH 6-8) 3.78 8.23 -136.2 0 9 -2 133 455.471 7 ↓

Analogs

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Popular Name: 2-[[5-(4-chlorophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d]pyri 2-[[5-(4-chlorophenyl)-4-propyl-…

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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) 3.64 10.96 -63.54 1 9 -1 130 458.907 7 ↓
Mid Mid (pH 6-8) 4.09 8.49 -128.79 0 9 -2 133 457.899 7 ↓

Analogs

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Popular Name: 2-[[5-(2-chlorophenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo 2-[[5-(2-chlorophenyl)-4-(3-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) 2.97 10.15 -68.57 1 10 -1 139 488.933 9 ↓
Mid Mid (pH 6-8) 3.42 7.68 -134.46 0 10 -2 142 487.925 9 ↓

Analogs

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Popular Name: 2-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d] 2-[[4-isopropyl-5-(4-methoxyphen…

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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) 2.88 9.37 -65.18 1 10 -1 139 454.488 7 ↓
Mid Mid (pH 6-8) 3.33 6.91 -131.87 0 10 -2 142 453.48 7 ↓

Analogs

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Popular Name: 2-[[5-(4-chlorophenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo 2-[[5-(4-chlorophenyl)-4-(3-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) 3.01 10.1 -65.18 1 10 -1 139 488.933 9 ↓
Mid Mid (pH 6-8) 3.47 7.63 -130.1 0 10 -2 142 487.925 9 ↓

Analogs

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Popular Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d]pyrimidine-5-ca 2-[(4-allyl-5-phenyl-1,2,4-triaz…

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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) 2.73 10.23 -65.33 1 9 -1 130 422.446 7 ↓
Mid Mid (pH 6-8) 3.18 7.77 -132.33 0 9 -2 133 421.438 7 ↓

Analogs

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Popular Name: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d]pyri 2-[[5-(4-chlorophenyl)-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) 2.76 9.48 -64.62 1 9 -1 130 430.853 5 ↓
Mid Mid (pH 6-8) 3.22 7.01 -128.95 0 9 -2 133 429.845 5 ↓

Analogs

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Popular Name: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d]pyrim 2-[[5-(4-chlorophenyl)-4-ethyl-1…

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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) 3.13 10.21 -64.12 1 9 -1 130 444.88 6 ↓
Mid Mid (pH 6-8) 3.59 7.74 -128.9 0 9 -2 133 443.872 6 ↓

Analogs

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Popular Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d]pyrimidine-5-ca 2-[(4-ethyl-5-phenyl-1,2,4-triaz…

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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) 2.46 9.69 -65.44 1 9 -1 130 410.435 6 ↓
Mid Mid (pH 6-8) 2.91 7.22 -131.47 0 9 -2 133 409.427 6 ↓

Analogs

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Popular Name: 2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d]pyri 2-[[5-(2-chlorophenyl)-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) 2.71 9.49 -67.17 1 9 -1 130 430.853 5 ↓
Mid Mid (pH 6-8) 3.17 7.03 -133.42 0 9 -2 133 429.845 5 ↓

Analogs

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Popular Name: 2-[[4-allyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d]pyrimi 2-[[4-allyl-5-(3-nitrophenyl)-1,…

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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) 2.66 10.94 -70.36 1 12 -1 176 467.443 8 ↓
Mid Mid (pH 6-8) 3.12 8.47 -136.21 0 12 -2 179 466.435 8 ↓

Analogs

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Popular Name: 2-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d]pyrim 2-[[5-(3-chlorophenyl)-4-ethyl-1…

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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) 3.11 10.19 -65.92 1 9 -1 130 444.88 6 ↓
Mid Mid (pH 6-8) 3.57 7.73 -131.09 0 9 -2 133 443.872 6 ↓

Analogs

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Popular Name: 2-[[4-allyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d]p 2-[[4-allyl-5-(2,4-dichloropheny…

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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 11.38 -65.09 1 9 -1 130 491.336 7 ↓
Mid Mid (pH 6-8) 4.47 8.91 -130.37 0 9 -2 133 490.328 7 ↓

Analogs

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Popular Name: 2-[[5-(2,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d]p 2-[[5-(2,4-dichlorophenyl)-4-eth…

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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) 3.74 10.74 -65.05 1 9 -1 130 479.325 6 ↓
Mid Mid (pH 6-8) 4.20 8.28 -130.43 0 9 -2 133 478.317 6 ↓

Analogs

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Popular Name: 6-methyl-2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-3H-furo[5,4-d]pyrimidine- 6-methyl-2-[[4-methyl-5-(p-tolyl…

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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) 2.53 9.56 -65.53 1 9 -1 130 410.435 5 ↓
Mid Mid (pH 6-8) 2.99 7.1 -131.13 0 9 -2 133 409.427 5 ↓

Analogs

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Popular Name: 2-[[5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[ 2-[[5-(4-chlorophenyl)-4-(2-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) 2.74 9.34 -63 1 10 -1 139 474.906 8 ↓
Mid Mid (pH 6-8) 3.20 6.87 -127.84 0 10 -2 142 473.898 8 ↓

Analogs

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Popular Name: 2-[[4-isobutyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d]p 2-[[4-isobutyl-5-(4-methoxypheny…

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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) 3.26 10.17 -64.71 1 10 -1 139 468.515 8 ↓
Mid Mid (pH 6-8) 3.72 7.49 -131.36 0 10 -2 142 467.507 8 ↓

Analogs

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Popular Name: 6-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-3H-furo[5,4-d]pyrimidine-5-c 6-methyl-2-[(4-methyl-5-phenyl-1…

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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) 2.08 8.94 -65.82 1 9 -1 130 396.408 5 ↓
Mid Mid (pH 6-8) 2.54 6.49 -131.41 0 9 -2 133 395.4 5 ↓

Analogs

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Popular Name: 2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d]pyri 2-[[5-(2-fluorophenyl)-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) 2.20 9.06 -68.85 1 9 -1 130 414.398 5 ↓
Mid Mid (pH 6-8) 2.65 6.58 -135.2 0 9 -2 133 413.39 5 ↓

Parameters Provided:

ring.id = 117270
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 = 117270 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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