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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3H-quinazolin-4-one 2-[[[(1S)-1-cyclopentylethyl]ami…

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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) 2.76 5.81 -8.38 2 4 0 58 271.364 4 ↓
Hi High (pH 8-9.5) 3.22 4.45 -43.57 2 4 0 65 271.364 4 ↓
Mid Mid (pH 6-8) 2.76 7.02 -49.71 3 4 1 62 272.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(1R)-1-cyclopentylethyl]amino]methyl]-3H-quinazolin-4-one 2-[[[(1R)-1-cyclopentylethyl]ami…

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) 2.76 5.86 -8.45 2 4 0 58 271.364 4 ↓
Hi High (pH 8-9.5) 3.22 4.41 -43.66 2 4 0 65 271.364 4 ↓
Mid Mid (pH 6-8) 2.76 6.98 -49.79 3 4 1 62 272.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-2-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3H-quinazolin-4-one 7-chloro-2-[[[(1S)-1-cyclopentyl…

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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) 3.42 6.32 -6.74 2 4 0 58 305.809 4 ↓
Mid Mid (pH 6-8) 3.42 7.05 -54.69 3 4 1 62 306.817 4 ↓
Mid Mid (pH 6-8) 3.87 4.96 -39.68 2 4 0 65 305.809 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-2-[[[(1R)-1-cyclopentylethyl]amino]methyl]-3H-quinazolin-4-one 7-chloro-2-[[[(1R)-1-cyclopentyl…

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) 3.42 6.37 -6.89 2 4 0 58 305.809 4 ↓
Mid Mid (pH 6-8) 3.42 7.01 -54.66 3 4 1 62 306.817 4 ↓
Mid Mid (pH 6-8) 3.87 4.92 -39.78 2 4 0 65 305.809 4 ↓

Parameters Provided:

ring.id = 533766
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 = 533766 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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