UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

26146262
26146262

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Popular Name: N-[(2S)-4-methyl-2-morpholino-pentyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(2S)-4-methyl-2-morpholino-pe…

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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) 1.61 2.78 -14.74 1 8 0 80 305.386 6 ↓
Mid Mid (pH 6-8) 1.61 4.74 -63.2 2 8 1 82 306.394 6 ↓

Analogs

26146255
26146255

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Popular Name: N-[(2R)-4-methyl-2-morpholino-pentyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(2R)-4-methyl-2-morpholino-pe…

Find On: PubMed — Wikipedia — Google

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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) 1.61 2.58 -16.22 1 8 0 80 305.386 6 ↓
Mid Mid (pH 6-8) 1.61 4.64 -61.05 2 8 1 82 306.394 6 ↓

Parameters Provided:

ring.id = 149012
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 = 149012 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=149012&filter.purchasability=annotated

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