UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [2-ethoxy-5-[(3-methyl-3,10-diazaspiro[5.6]dodecan-10-yl)methyl]phenyl]methanol [2-ethoxy-5-[(3-methyl-3,10-diaz…

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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) 2.62 8.88 -90.2 3 4 2 38 348.531 5 ↓

Analogs

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Popular Name: 1-[9-[(4-chlorophenyl)methyl]-3,9-diazaspiro[5.6]dodecan-3-yl]-2-methoxy-ethanone 1-[9-[(4-chlorophenyl)methyl]-3,…

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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) 2.90 10.74 -52.99 1 4 1 34 365.925 4 ↓

Analogs

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Popular Name: 3-[(3-butanoyl-3,9-diazaspiro[5.6]dodecan-9-yl)methyl]benzonitrile 3-[(3-butanoyl-3,9-diazaspiro[5.…

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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) 3.41 11.98 -54.52 1 4 1 49 354.518 4 ↓
Hi High (pH 8-9.5) 3.41 10.45 -11.18 0 4 0 47 353.51 4 ↓

Analogs

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Popular Name: 4-[4-(3,10-diazaspiro[5.6]dodecan-10-ylmethyl)phenyl]but-3-yn-1-ol 4-[4-(3,10-diazaspiro[5.6]dodeca…

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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) 2.16 8.45 -100.19 4 3 2 41 328.5 3 ↓

Parameters Provided:

ring.id = 521403
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 = 521403 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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