UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3683719
3683719

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Popular Name: 1-[3-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-trien-20-yl)prop-2-ynyl]piperidine 1-[3-(2,5,8,11,14,17-hexaoxabicy…

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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) 1.77 9.17 -46.85 1 7 1 60 434.553 1 ↓
Hi High (pH 8-9.5) 1.77 6.91 -13.39 0 7 0 59 433.545 1 ↓

Analogs

4952903
4952903
5865392
5865392
8892732
8892732
8892740
8892740

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-19,21,23-trien-20-yl)butan-1-one 1-(2,5,8,11,14,17-hexaoxabicyclo…

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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) 1.59 -1.78 -16.48 0 7 0 72 382.453 3 ↓

Parameters Provided:

ring.id = 14322
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 = 14322 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=14322&filter.purchasability=annotated

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