UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: ethyl ethyl

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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) 5.04 12.1 -13.15 0 7 0 78 446.503 6 ↓

Analogs

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Popular Name: (3,4-dimethylphenyl)-[8-(1-piperidyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methanone (3,4-dimethylphenyl)-[8-(1-piper…

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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) 5.31 11.11 -8.09 0 5 0 52 388.467 3 ↓

Analogs

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Popular Name: 1-[7-(3,4-dimethylbenzoyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl]piperidine-4-carboxamide 1-[7-(3,4-dimethylbenzoyl)-[1,3]…

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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) 3.91 7.76 -17.25 2 7 0 95 431.492 4 ↓

Analogs

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Popular Name: (4-methoxyphenyl)-[8-(1-piperidyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methanone (4-methoxyphenyl)-[8-(1-piperidy…

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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) 4.54 9.2 -8.24 0 6 0 61 390.439 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 5.41 12.64 -13.1 0 7 0 78 460.53 6 ↓
Mid Mid (pH 6-8) 5.41 13.04 -41.5 1 7 1 79 461.538 6 ↓

Parameters Provided:

ring.id = 47917
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 = 47917 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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