UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6,8-dichloro-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one 6,8-dichloro-3-[(5-ethyl-1,2,4-o…

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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) 2.56 6.38 -13.31 0 6 0 74 325.155 3 ↓

Analogs

35480447
35480447
35480449
35480449
35480465
35480465
35480466
35480466

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Popular Name: 3-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one 3-[(5-butyl-1,2,4-oxadiazol-3-yl…

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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) 2.36 6.82 -14.99 0 6 0 74 284.319 5 ↓

Analogs

35480465
35480465
35480471
35480471
35480475
35480475

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Popular Name: 3-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one 3-[(5-isopropyl-1,2,4-oxadiazol-…

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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 5.87 -15.13 0 6 0 74 270.292 3 ↓

Parameters Provided:

ring.id = 29894
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 = 29894 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=29894&filter.purchasability=annotated

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