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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-[(4-ethylphenoxy)methyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[ 2-[[5-[(4-ethylphenoxy)methyl]-4…

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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) 3.76 11.95 -65.03 1 10 -1 139 496.569 10 ↓
Mid Mid (pH 6-8) 4.22 9.47 -131.24 0 10 -2 142 495.561 10 ↓

Analogs

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Popular Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5 2-[[5-[(2-chlorophenoxy)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) 2.35 9.36 -68.26 1 10 -1 139 460.879 7 ↓
Mid Mid (pH 6-8) 2.81 6.9 -134.35 0 10 -2 142 459.871 7 ↓

Analogs

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Popular Name: 2-[[5-[(4-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[ 2-[[5-[(4-methoxyphenoxy)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) 1.78 8.09 -67.41 1 11 -1 148 456.46 8 ↓
Mid Mid (pH 6-8) 2.24 5.62 -132.27 0 11 -2 151 455.452 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5 2-[[5-[(4-chlorophenoxy)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) 2.40 9.32 -66.21 1 10 -1 139 460.879 7 ↓
Mid Mid (pH 6-8) 2.86 6.86 -130.8 0 10 -2 142 459.871 7 ↓

Parameters Provided:

ring.id = 117311
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 = 117311 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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