UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[3-(5,7-dimethylbenzooxazol-2-yl)-4-hydroxy-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide N-[3-(5,7-dimethylbenzooxazol-2-…

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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) 5.44 -2.37 -21.14 2 9 0 124 472.501 5 ↓

Analogs

8992999
8992999

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Popular Name: N-(3-benzooxazol-2-yl-4-hydroxy-5-methyl-phenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide N-(3-benzooxazol-2-yl-4-hydroxy-…

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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) 5.02 -2.63 -21.33 2 9 0 124 458.474 5 ↓

Analogs

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Popular Name: N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide N-[5-(5,7-dimethyl-1,3-benzoxazo…

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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) 6.11 12.82 -26.45 1 8 0 104 470.529 5 ↓

Parameters Provided:

ring.id = 7149
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 = 7149 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=7149&filter.purchasability=annotated

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