UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35501778
35501778
35501725
35501725
35501726
35501726
35501727
35501727
35501728
35501728

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Popular Name: 6-[(R)-cyclobutyl(methylamino)methyl]-4H-1,4-benzoxazin-3-one 6-[(R)-cyclobutyl(methylamino)me…

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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) 1.75 4.26 -48.21 3 4 1 55 247.318 3 ↓

Analogs

35501725
35501725
35501726
35501726
35501727
35501727
35501728
35501728
35501777
35501777

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Popular Name: 6-[(S)-cyclobutyl(methylamino)methyl]-4H-1,4-benzoxazin-3-one 6-[(S)-cyclobutyl(methylamino)me…

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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) 1.75 4.08 -49.35 3 4 1 55 247.318 3 ↓

Parameters Provided:

ring.id = 18315
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 = 18315 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=18315&filter.purchasability=annotated

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