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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-[(2-fluorophenyl)methyl]-7-(morpholinomethyl)-1,2-benzoxazol-6-ol 3-[(2-fluorophenyl)methyl]-7-(mo…

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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) 3.59 4.75 -9.43 1 5 0 59 342.37 4 ↓
Hi High (pH 8-9.5) 3.59 5.33 -43.7 0 5 -1 62 341.362 4 ↓
Lo Low (pH 4.5-6) 3.59 7.05 -36.41 2 5 1 60 343.378 4 ↓

Analogs

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Popular Name: 3-[(2-methoxyphenyl)methyl]-7-(morpholinomethyl)-1,2-benzoxazol-6-ol 3-[(2-methoxyphenyl)methyl]-7-(m…

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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) 3.48 4.38 -10.87 1 6 0 68 354.406 5 ↓
Hi High (pH 8-9.5) 3.48 4.96 -43.66 0 6 -1 71 353.398 5 ↓
Lo Low (pH 4.5-6) 3.48 6.68 -37.42 2 6 1 69 355.414 5 ↓

Analogs

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Popular Name: 3-benzyl-7-(morpholinomethyl)-1,2-benzoxazol-6-ol 3-benzyl-7-(morpholinomethyl)-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) 3.47 4.88 -11.47 1 5 0 59 324.38 4 ↓
Hi High (pH 8-9.5) 3.47 5.46 -42.53 0 5 -1 62 323.372 4 ↓
Lo Low (pH 4.5-6) 3.47 7.18 -37.9 2 5 1 60 325.388 4 ↓

Analogs

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Popular Name: 3-[(4-chlorophenyl)methyl]-7-(morpholinomethyl)-1,2-benzoxazol-6-ol 3-[(4-chlorophenyl)methyl]-7-(mo…

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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) 4.15 5.4 -12.08 1 5 0 59 358.825 4 ↓
Hi High (pH 8-9.5) 4.15 5.98 -41.98 0 5 -1 62 357.817 4 ↓
Lo Low (pH 4.5-6) 4.15 7.7 -38.97 2 5 1 60 359.833 4 ↓

Parameters Provided:

ring.id = 538013
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 = 538013 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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