UCSF
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Analogs

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Popular Name: N-[(3R)-1-benzylpyrrolidin-3-yl]-1-isopropyl-2-oxo-1,8-naphthyridine-3-carboxamide N-[(3R)-1-benzylpyrrolidin-3-yl]…

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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) 2.49 11.21 -40.64 2 6 1 68 391.495 5 ↓
Hi High (pH 8-9.5) 2.56 10.15 -56.34 1 6 0 75 390.487 5 ↓

Analogs

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Popular Name: N-[(3S)-1-benzylpyrrolidin-3-yl]-1-isopropyl-2-oxo-1,8-naphthyridine-3-carboxamide N-[(3S)-1-benzylpyrrolidin-3-yl]…

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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) 2.49 11.22 -40.13 2 6 1 68 391.495 5 ↓
Hi High (pH 8-9.5) 2.56 10.15 -56.56 1 6 0 75 390.487 5 ↓

Parameters Provided:

ring.id = 601763
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 = 601763 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=601763&filter.purchasability=annotated

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