UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-methyl-7-piperazin-1-yl-1H-quinolin-2-one 3-methyl-7-piperazin-1-yl-1H-qui…

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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) 0.91 3.05 -55.02 3 4 1 53 244.318 1 ↓
Hi High (pH 8-9.5) 0.91 1.64 -10.17 2 4 0 48 243.31 1 ↓

Analogs

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Popular Name: 3-ethyl-7-piperazin-1-yl-1H-quinolin-2-one 3-ethyl-7-piperazin-1-yl-1H-quin…

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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) 1.38 3.8 -54.91 3 4 1 53 258.345 2 ↓
Hi High (pH 8-9.5) 1.38 2.39 -10.12 2 4 0 48 257.337 2 ↓

Analogs

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Popular Name: 3-isopropyl-7-piperazin-1-yl-1H-quinolin-2-one 3-isopropyl-7-piperazin-1-yl-1H-…

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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) 1.50 4.39 -53.61 3 4 1 53 272.372 2 ↓
Hi High (pH 8-9.5) 1.50 2.98 -9.12 2 4 0 48 271.364 2 ↓

Parameters Provided:

ring.id = 24777
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 = 24777 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=24777&filter.purchasability=annotated

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