UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(cyclobutylmethyl)-2-methyl-6,7-dihydro-5H-indol-4-one 1-(cyclobutylmethyl)-2-methyl-6,…

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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) 2.46 8.89 -11.19 0 2 0 22 217.312 2 ↓

Analogs

1719179
1719179

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Popular Name: 1-(cyclobutylmethyl)-6,7-dihydro-5H-indol-4-one 1-(cyclobutylmethyl)-6,7-dihydro…

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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) 2.24 8.44 -10.85 0 2 0 22 203.285 2 ↓

Analogs

2190703
2190703
2190702
2190702
2582293
2582293

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Popular Name: 1-(cyclobutylmethyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one 1-(cyclobutylmethyl)-2,6,6-trime…

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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) 3.35 9.78 -10.68 0 2 0 22 245.366 2 ↓

Analogs

1719180
1719180
2190703
2190703
2190702
2190702

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Popular Name: 1-(cyclobutylmethyl)-6,6-dimethyl-5,7-dihydroindol-4-one 1-(cyclobutylmethyl)-6,6-dimethy…

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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) 3.12 9.49 -10.28 0 2 0 22 231.339 2 ↓

Parameters Provided:

ring.id = 571406
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 = 571406 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=571406&filter.purchasability=annotated

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