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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-[[4-(3-ethoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d 2-[[4-(3-ethoxypropyl)-5-(4-pyri…

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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) 1.42 8.68 -66.39 1 11 -1 152 469.503 10 ↓
Mid Mid (pH 6-8) 1.88 6.23 -132.13 0 11 -2 155 468.495 10 ↓

Analogs

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Popular Name: 6-methyl-4-oxo-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3H-furo[5,4-d]pyrimidin 6-methyl-4-oxo-2-[[4-propyl-5-(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) 1.67 8.65 -64.84 1 10 -1 143 425.45 7 ↓
Mid Mid (pH 6-8) 2.13 6.19 -129.6 0 10 -2 146 424.442 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.44 8.46 -65.18 1 10 -1 143 423.434 7 ↓
Mid Mid (pH 6-8) 1.89 5.99 -130.36 0 10 -2 146 422.426 7 ↓

Parameters Provided:

ring.id = 117051
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 = 117051 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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