UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-hydroxy-N-[hydroxy-[(2S)-tetrahydrofuran-2-carbonyl]amino]-3-methyl-isoxazolo[5,4-b]pyridine-5-car N-hydroxy-N-[hydroxy-[(2S)-tetra…

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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) -0.46 -0.2 -51.28 1 10 -1 132 321.269 3 ↓
Hi High (pH 8-9.5) -0.46 0.43 -126.39 0 10 -2 135 320.261 3 ↓
Mid Mid (pH 6-8) -0.46 -0.79 -22.6 2 10 0 129 322.277 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-hydroxy-N-[hydroxy-[(2R)-tetrahydrofuran-2-carbonyl]amino]-3-methyl-isoxazolo[5,4-b]pyridine-5-car N-hydroxy-N-[hydroxy-[(2R)-tetra…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.46 -0.2 -50.94 1 10 -1 132 321.269 3 ↓
Hi High (pH 8-9.5) -0.46 0.41 -125.83 0 10 -2 135 320.261 3 ↓
Mid Mid (pH 6-8) -0.46 -0.79 -22.05 2 10 0 129 322.277 3 ↓

Parameters Provided:

ring.id = 517875
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 = 517875 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=517875&filter.purchasability=annotated

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