UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[2-(9-chloro-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3- 1-[2-(9-chloro-2,3-dihydro-[1,4]…

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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) 3.55 8.24 -45.81 2 8 1 79 498.003 6 ↓
Mid Mid (pH 6-8) 3.55 8.65 -92.36 3 8 2 80 499.011 6 ↓

Analogs

38579442
38579442

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Popular Name: (1S)-1-(3-chloro-6-methoxy-4-quinolyl)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino) (1S)-1-(3-chloro-6-methoxy-4-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) 2.91 6.33 -118.92 4 8 2 95 487 7 ↓
Mid Mid (pH 6-8) 2.91 5.55 -88.56 4 8 2 91 487 7 ↓
Mid Mid (pH 6-8) 2.91 5.14 -43.67 3 8 1 90 485.992 7 ↓

Analogs

38579441
38579441

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Popular Name: (1R)-1-(3-chloro-6-methoxy-4-quinolyl)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino) (1R)-1-(3-chloro-6-methoxy-4-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) 2.91 6.38 -118.63 4 8 2 95 487 7 ↓
Mid Mid (pH 6-8) 2.91 5.61 -88.42 4 8 2 91 487 7 ↓
Mid Mid (pH 6-8) 2.91 5.21 -43.56 3 8 1 90 485.992 7 ↓

Parameters Provided:

ring.id = 258056
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 = 258056 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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