UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11840465
11840465
39677358
39677358
39677359
39677359
39677362
39677362
39677363
39677363

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Popular Name: 2-chloro-N-[[(3S)-1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-piperidyl]methyl]benzamide 2-chloro-N-[[(3S)-1-(2,3-dihydro…

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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) 2.63 -2.04 -14.76 1 6 0 68 414.889 4 ↓

Analogs

39677358
39677358
39677359
39677359
39677362
39677362
39677363
39677363
39677386
39677386

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[[(3R)-1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-piperidyl]methyl]benzamide 2-chloro-N-[[(3R)-1-(2,3-dihydro…

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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) 2.63 -2.06 -16.16 1 6 0 68 414.889 4 ↓

Parameters Provided:

ring.id = 58809
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 = 58809 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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