UCSF
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Analogs

32091381
32091381

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Popular Name: 4-chloro-N-(2-chloro-5-oxazolo[4,5-c]pyridin-2-yl-phenyl)benzamide 4-chloro-N-(2-chloro-5-oxazolo[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) 4.73 6.69 -13.51 1 5 0 68 384.222 3 ↓

Analogs

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Popular Name: N-(4-hydroxy-3-oxazolo[4,5-c]pyridin-2-yl-phenyl)-4-isopropoxy-benzamide N-(4-hydroxy-3-oxazolo[4,5-c]pyr…

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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) 3.95 4.87 -18.95 2 7 0 97 389.411 5 ↓

Analogs

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Popular Name: 3-bromo-N-(2-methoxy-5-oxazolo[4,5-c]pyridin-2-yl-phenyl)benzamide 3-bromo-N-(2-methoxy-5-oxazolo[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) 4.21 5.63 -15.15 1 6 0 77 424.254 4 ↓

Parameters Provided:

ring.id = 12175
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 = 12175 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=12175&filter.purchasability=annotated

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