UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

33686333
33686333
690237
690237

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Popular Name: N-[4-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(4-benzylpiperazin-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) 3.01 8.58 -16.19 1 6 0 66 412.559 6 ↓
Mid Mid (pH 6-8) 3.01 10.78 -54.58 2 6 1 67 413.567 6 ↓

Analogs

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Popular Name: N-[4-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxa N-[4-[2-[4-[(2,5-dimethoxyphenyl…

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) 3.05 7.24 -18.33 1 8 0 84 472.611 8 ↓
Mid Mid (pH 6-8) 3.05 9.49 -51.85 2 8 1 85 473.619 8 ↓

Parameters Provided:

ring.id = 600927
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 = 600927 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=600927&filter.purchasability=annotated

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