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Analogs

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Popular Name: 7-chloro-2-[(cyclopropylmethylamino)methyl]-3H-quinazolin-4-one 7-chloro-2-[(cyclopropylmethylam…

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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) 2.17 4.64 -7.26 2 4 0 58 263.728 4 ↓
Mid Mid (pH 6-8) 2.17 5.53 -56.83 3 4 1 62 264.736 4 ↓

Analogs

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Popular Name: 2-[(1S)-1-[cyclopropylmethyl(methyl)amino]ethyl]-3H-quinazolin-4-one 2-[(1S)-1-[cyclopropylmethyl(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) 2.32 5.69 -8.39 1 4 0 49 257.337 4 ↓
Mid Mid (pH 6-8) 2.78 5.17 -43.1 1 4 0 53 257.337 4 ↓
Mid Mid (pH 6-8) 2.32 7.82 -43.08 2 4 1 50 258.345 4 ↓

Analogs

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Popular Name: 2-[(1R)-1-[cyclopropylmethyl(methyl)amino]ethyl]-3H-quinazolin-4-one 2-[(1R)-1-[cyclopropylmethyl(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) 2.32 5.69 -8.21 1 4 0 49 257.337 4 ↓
Mid Mid (pH 6-8) 2.32 7.85 -43.08 2 4 1 50 258.345 4 ↓
Mid Mid (pH 6-8) 2.78 5.19 -41.52 1 4 0 53 257.337 4 ↓

Analogs

36886004
36886004

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Popular Name: 2-[[cyclopropylmethyl(methyl)amino]methyl]-3H-quinazolin-4-one 2-[[cyclopropylmethyl(methyl)ami…

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) 1.76 5.42 -8.81 1 4 0 49 243.31 4 ↓
Hi High (pH 8-9.5) 2.22 2.57 -48 0 4 -1 52 242.302 4 ↓
Mid Mid (pH 6-8) 2.22 4.91 -43.7 1 4 0 53 243.31 4 ↓

Parameters Provided:

ring.id = 124232
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 = 124232 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=124232&filter.purchasability=annotated

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