UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38285032
38285032

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Popular Name: 1-(3-imidazol-1-ylpropyl)-2-methyl-6,7-dihydro-5H-indol-4-one 1-(3-imidazol-1-ylpropyl)-2-meth…

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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) 1.37 10.35 -19.94 0 4 0 40 257.337 4 ↓
Mid Mid (pH 6-8) 1.37 10.87 -51.09 1 4 1 41 258.345 4 ↓

Analogs

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Popular Name: 1-(3-imidazol-1-ylpropyl)-6,7-dihydro-5H-indol-4-one 1-(3-imidazol-1-ylpropyl)-6,7-di…

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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) 1.14 10.36 -49.68 1 4 1 41 244.318 4 ↓
Mid Mid (pH 6-8) 1.14 9.84 -19.61 0 4 0 40 243.31 4 ↓

Analogs

2190702
2190702
2190703
2190703
2582293
2582293

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Popular Name: 1-(3-imidazol-1-ylpropyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one 1-(3-imidazol-1-ylpropyl)-2,6,6-…

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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) 2.25 11.28 -19.44 0 4 0 40 285.391 4 ↓
Mid Mid (pH 6-8) 2.25 11.79 -51.42 1 4 1 41 286.399 4 ↓

Analogs

1719180
1719180

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Popular Name: 1-(3-imidazol-1-ylpropyl)-6,6-dimethyl-5,7-dihydroindol-4-one 1-(3-imidazol-1-ylpropyl)-6,6-di…

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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) 2.03 11.28 -49.74 1 4 1 41 272.372 4 ↓
Mid Mid (pH 6-8) 2.03 10.77 -19.15 0 4 0 40 271.364 4 ↓

Parameters Provided:

ring.id = 571386
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 = 571386 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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