UCSF
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Analogs

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Popular Name: (8R)-N-pyridazin-3-yl-5-azaspiro[3.5]nonan-8-amine (8R)-N-pyridazin-3-yl-5-azaspiro…

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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) 1.10 4.2 -89.08 4 4 2 56 220.32 2 ↓
Mid Mid (pH 6-8) 1.10 4.02 -46.68 3 4 1 54 219.312 2 ↓
Mid Mid (pH 6-8) 1.10 4.2 -87.26 4 4 2 56 220.32 2 ↓

Analogs

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Popular Name: (8S)-N-pyridazin-3-yl-5-azaspiro[3.5]nonan-8-amine (8S)-N-pyridazin-3-yl-5-azaspiro…

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) 1.10 4.27 -88.97 4 4 2 56 220.32 2 ↓
Mid Mid (pH 6-8) 1.10 4.09 -46.32 3 4 1 54 219.312 2 ↓
Mid Mid (pH 6-8) 1.10 4.26 -87.01 4 4 2 56 220.32 2 ↓

Parameters Provided:

ring.id = 25928
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 = 25928 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=25928&filter.purchasability=annotated

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