UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-2-(2-methoxyethyl)-4-(7-methoxy-4-methyl-quinazolin-2-yl)morpholine (2R)-2-(2-methoxyethyl)-4-(7-met…

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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) 2.84 7.3 -12.33 0 6 0 57 317.389 5 ↓
Mid Mid (pH 6-8) 2.84 7.58 -35.01 1 6 1 58 318.397 5 ↓
Mid Mid (pH 6-8) 2.84 7.61 -26.97 1 6 1 58 318.397 5 ↓

Analogs

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Popular Name: (2S)-2-(2-methoxyethyl)-4-(7-methoxy-4-methyl-quinazolin-2-yl)morpholine (2S)-2-(2-methoxyethyl)-4-(7-met…

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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) 2.84 7.32 -12.36 0 6 0 57 317.389 5 ↓
Mid Mid (pH 6-8) 2.84 7.61 -34.68 1 6 1 58 318.397 5 ↓
Mid Mid (pH 6-8) 2.84 7.62 -27.03 1 6 1 58 318.397 5 ↓

Analogs

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Popular Name: (2S,6R)-4-(7-methoxy-4-methyl-quinazolin-2-yl)-2,6-dimethyl-morpholine (2S,6R)-4-(7-methoxy-4-methyl-qu…

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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) 3.32 8.19 -11.63 0 5 0 47 287.363 2 ↓
Mid Mid (pH 6-8) 3.32 8.47 -33.23 1 5 1 49 288.371 2 ↓
Mid Mid (pH 6-8) 3.32 8.49 -25.26 1 5 1 49 288.371 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-2,6-dimethyl-4-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)morpholine (2S,6R)-2,6-dimethyl-4-(4-methyl…

Find On: PubMed — Wikipedia — Google

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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) 2.14 6.43 -16.68 0 6 0 72 335.429 2 ↓

Parameters Provided:

ring.id = 523558
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 = 523558 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=523558&filter.purchasability=annotated

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