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Analogs

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Popular Name: N-[3-[1-acetyl-5-(chloroBLAHyl)-4,5-dihydropyrazol-3-yl]phenyl]methanesulfonamide N-[3-[1-acetyl-5-(chloroBLAHyl)-…

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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) 2.95 -4.8 -18.83 1 9 0 110 486.937 4 ↓
Hi High (pH 8-9.5) 2.95 -4.22 -43.21 0 9 -1 112 485.929 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[1-acetyl-5-(chloroBLAHyl)-4,5-dihydropyrazol-3-yl]phenyl]methanesulfonamide N-[3-[1-acetyl-5-(chloroBLAHyl)-…

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) 2.95 -5.01 -19.59 1 9 0 110 486.937 4 ↓
Hi High (pH 8-9.5) 2.95 -4.43 -44.33 0 9 -1 112 485.929 4 ↓

Parameters Provided:

ring.id = 6949
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 = 6949 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=6949&filter.purchasability=annotated

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