UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-tert-butyl-3-[[(3R)-3-(morpholinomethyl)-1-piperidyl]methyl]-1,3,4-oxadiazole-2-thione 5-tert-butyl-3-[[(3R)-3-(morphol…

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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 5.96 -40.78 1 6 1 48 355.528 5 ↓
Mid Mid (pH 6-8) 2.36 5.43 -42.8 1 6 1 48 355.528 5 ↓
Mid Mid (pH 6-8) 2.36 3.44 -9.24 0 6 0 47 354.52 5 ↓

Analogs

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Popular Name: 5-tert-butyl-3-[[(3S)-3-(morpholinomethyl)-1-piperidyl]methyl]-1,3,4-oxadiazole-2-thione 5-tert-butyl-3-[[(3S)-3-(morphol…

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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 5.58 -40.43 1 6 1 48 355.528 5 ↓
Mid Mid (pH 6-8) 2.36 5.18 -45.9 1 6 1 48 355.528 5 ↓
Mid Mid (pH 6-8) 2.36 3.15 -8.88 0 6 0 47 354.52 5 ↓

Parameters Provided:

ring.id = 460834
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 = 460834 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=460834&filter.purchasability=annotated

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