UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43425133
43425133
43425134
43425134
43425135
43425135
43425136
43425136
43425241
43425241

Draw Identity 99% 90% 80% 70%

Popular Name: (7R,8S)-7-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,4-dioxaspiro[4.5]decan-8-amine (7R,8S)-7-[(2S,6S)-2,6-dimethylm…

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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) 0.31 1.37 -4.18 2 5 0 57 270.373 1 ↓
Lo Low (pH 4.5-6) 0.31 3.01 -32.19 3 5 1 58 271.381 1 ↓
Lo Low (pH 4.5-6) 0.31 3.26 -120.53 4 5 2 60 272.389 1 ↓

Analogs

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Popular Name: (7R,8S)-7-(3,3-dimethylmorpholin-4-yl)-1,4-dioxaspiro[4.5]decan-8-amine (7R,8S)-7-(3,3-dimethylmorpholin…

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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) 0.40 0.35 -3.99 2 5 0 57 270.373 1 ↓
Lo Low (pH 4.5-6) 0.40 2.54 -27.88 3 5 1 58 271.381 1 ↓
Lo Low (pH 4.5-6) 0.40 2.6 -112.31 4 5 2 60 272.389 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S,8S)-7-(3,3-dimethylmorpholin-4-yl)-1,4-dioxaspiro[4.5]decan-8-amine (7S,8S)-7-(3,3-dimethylmorpholin…

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) 0.40 0.03 -3.64 2 5 0 57 270.373 1 ↓
Lo Low (pH 4.5-6) 0.40 1.85 -30.24 3 5 1 58 271.381 1 ↓
Lo Low (pH 4.5-6) 0.40 2.13 -119.37 4 5 2 60 272.389 1 ↓

Parameters Provided:

ring.id = 120219
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 = 120219 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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