UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]pyridazin-3-amine N-[[(2R)-1-ethylpyrrolidin-2-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) 0.99 5.76 -89.18 3 4 2 43 208.309 4 ↓
Hi High (pH 8-9.5) 0.99 3.45 -7.67 1 4 0 41 206.293 4 ↓
Mid Mid (pH 6-8) 0.99 5.75 -84.1 3 4 2 43 208.309 4 ↓

Analogs

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Popular Name: N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyridazin-3-amine N-[[(2S)-1-ethylpyrrolidin-2-yl]…

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) 0.99 5.78 -88.91 3 4 2 43 208.309 4 ↓
Hi High (pH 8-9.5) 0.99 3.45 -7.81 1 4 0 41 206.293 4 ↓
Mid Mid (pH 6-8) 0.99 5.61 -37.9 2 4 1 42 207.301 4 ↓

Parameters Provided:

ring.id = 23737
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 = 23737 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=23737&filter.purchasability=annotated

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