UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11841588
11841588

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Popular Name: (5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-5-[1-(4,5,6,7-tetrahydro-2H-indazole-3-carbonyl)-4-piper (5S)-3-(1,3-benzodioxol-5-ylmeth…

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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) 3.03 -3.98 -18.75 2 10 0 117 493.564 5 ↓

Analogs

11841587
11841587

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Popular Name: (5R)-3-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-5-[1-(4,5,6,7-tetrahydro-2H-indazole-3-carbonyl)-4-piper (5R)-3-(1,3-benzodioxol-5-ylmeth…

Find On: PubMed — Wikipedia — Google

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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) 3.03 -3.69 -16.67 2 10 0 117 493.564 5 ↓

Parameters Provided:

ring.id = 59453
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 = 59453 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=59453&filter.purchasability=annotated

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