UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[[(3R)-3-(morpholinomethyl)-1-piperidyl]methyl]oxazolidine-2-thione 3-[[(3R)-3-(morpholinomethyl)-1-…

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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) 1.26 2.41 -13.93 0 5 0 28 299.44 4 ↓
Mid Mid (pH 6-8) 1.26 4.4 -51.49 1 5 1 29 300.448 4 ↓
Mid Mid (pH 6-8) 1.26 4.79 -50.26 1 5 1 29 300.448 4 ↓

Analogs

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Popular Name: 3-[[(3S)-3-(morpholinomethyl)-1-piperidyl]methyl]oxazolidine-2-thione 3-[[(3S)-3-(morpholinomethyl)-1-…

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) 1.26 2.52 -15.24 0 5 0 28 299.44 4 ↓
Mid Mid (pH 6-8) 1.26 4.55 -45.95 1 5 1 29 300.448 4 ↓
Mid Mid (pH 6-8) 1.26 4.92 -50.25 1 5 1 29 300.448 4 ↓

Parameters Provided:

ring.id = 461130
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 = 461130 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=461130&filter.purchasability=annotated

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