UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12029419
12029419
12281657
12281657
12281658
12281658

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Popular Name: (6S)-6-(1,3-benzodioxol-5-yl)-N-(3-methoxypropyl)-11-methyl-9-oxo-6,7-dihydropyrido[2,1-d][1,5]benzo (6S)-6-(1,3-benzodioxol-5-yl)-N-…

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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) 3.70 -1.41 -28.73 1 7 0 79 478.57 6 ↓

Analogs

12281657
12281657
12281658
12281658
12029414
12029414

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Popular Name: (6R)-6-(1,3-benzodioxol-5-yl)-N-(3-methoxypropyl)-11-methyl-9-oxo-6,7-dihydropyrido[2,1-d][1,5]benzo (6R)-6-(1,3-benzodioxol-5-yl)-N-…

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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) 3.70 -1.99 -24.74 1 7 0 79 478.57 6 ↓

Analogs

12217435
12217435

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Popular Name: (6S)-6-(1,3-benzodioxol-5-yl)-N-isopropyl-11-methyl-9-oxo-6,7-dihydropyrido[2,1-d][1,5]benzothiazepi (6S)-6-(1,3-benzodioxol-5-yl)-N-…

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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) 4.12 -0.81 -20.19 1 6 0 70 448.544 3 ↓

Analogs

12217434
12217434

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Popular Name: (6R)-6-(1,3-benzodioxol-5-yl)-N-isopropyl-11-methyl-9-oxo-6,7-dihydropyrido[2,1-d][1,5]benzothiazepi (6R)-6-(1,3-benzodioxol-5-yl)-N-…

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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) 4.12 -0.89 -24.67 1 6 0 70 448.544 3 ↓

Parameters Provided:

ring.id = 79649
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 = 79649 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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