UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9007890
9007890
9007891
9007891
9008585
9008585
9008586
9008586

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Popular Name: (5R,10bR)-5-[4-(4-chlorobenzyl)oxyphenyl]-2-(p-tolyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazi (5R,10bR)-5-[4-(4-chlorobenzyl)o…

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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) 7.61 14.96 -8.49 1 4 0 34 480.995 5 ↓

Analogs

9008084
9008084
9008085
9008085

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Popular Name: (5S,10bR)-5-[4-(4-chlorobenzyl)oxyphenyl]-7-methoxy-2-(4-methoxyphenyl)-5,10b-dihydro-3H-pyrazolo[1, (5S,10bR)-5-[4-(4-chlorobenzyl)o…

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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) 7.03 12.82 -11.4 1 6 0 52 527.02 7 ↓

Parameters Provided:

ring.id = 229813
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 = 229813 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=229813&filter.purchasability=annotated

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