UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(azocan-1-yl)-1-piperazin-1-yl-propan-1-one 3-(azocan-1-yl)-1-piperazin-1-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) 1.18 6.42 -96.21 3 4 2 41 255.406 3 ↓
Mid Mid (pH 6-8) 1.18 5.14 -37.94 2 4 1 37 254.398 3 ↓

Analogs

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Popular Name: 3-(azocan-1-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one 3-(azocan-1-yl)-1-(4-ethylpipera…

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) 2.15 7.08 -38.15 1 4 1 28 282.452 4 ↓
Mid Mid (pH 6-8) 2.15 9.31 -91.86 2 4 2 29 283.46 4 ↓

Parameters Provided:

ring.id = 38892
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 = 38892 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=38892&filter.purchasability=annotated

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