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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-allyl-1-[(5R)-7,7-dimethyl-2-morpholino-6,8-dihydro-5H-quinazolin-5-yl]urea 3-allyl-1-[(5R)-7,7-dimethyl-2-m…

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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) 1.64 -6.26 -12.07 2 7 0 79 345.447 4 ↓

Analogs

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Popular Name: 3-allyl-1-[(5S)-7,7-dimethyl-2-morpholino-6,8-dihydro-5H-quinazolin-5-yl]urea 3-allyl-1-[(5S)-7,7-dimethyl-2-m…

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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) 1.64 -6.26 -11.91 2 7 0 79 345.447 4 ↓

Analogs

11843413
11843413
12585031
12585031
12585037
12585037
14955912
14955912
14955916
14955916

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Popular Name: 1-butyl-3-[(5R)-7,7-dimethyl-2-morpholino-6,8-dihydro-5H-quinazolin-5-yl]urea 1-butyl-3-[(5R)-7,7-dimethyl-2-m…

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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) 2.44 -6.49 -12.08 2 7 0 79 361.49 5 ↓

Analogs

12585031
12585031
12585037
12585037
14955912
14955912
14955916
14955916
11843412
11843412

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Popular Name: 1-butyl-3-[(5S)-7,7-dimethyl-2-morpholino-6,8-dihydro-5H-quinazolin-5-yl]urea 1-butyl-3-[(5S)-7,7-dimethyl-2-m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.44 -6.5 -12.02 2 7 0 79 361.49 5 ↓

Parameters Provided:

ring.id = 45944
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 = 45944 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=45944&filter.purchasability=annotated

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