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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,2R,4R)-2,4-dimethylcyclohexyl]amino]methyl]-3H-quinazolin-4-one 2-[[[(1S,2R,4R)-2,4-dimethylcycl…

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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) 2.80 6.99 -8.2 2 4 0 58 285.391 3 ↓
Hi High (pH 8-9.5) 3.26 5.24 -41.96 2 4 0 65 285.391 3 ↓
Mid Mid (pH 6-8) 2.80 7.82 -48.32 3 4 1 62 286.399 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(1S,2R,4S)-2,4-dimethylcyclohexyl]amino]methyl]-3H-quinazolin-4-one 2-[[[(1S,2R,4S)-2,4-dimethylcycl…

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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) 2.80 6.37 -8.11 2 4 0 58 285.391 3 ↓
Hi High (pH 8-9.5) 3.26 4.84 -42.99 2 4 0 65 285.391 3 ↓
Mid Mid (pH 6-8) 2.80 7.41 -50.48 3 4 1 62 286.399 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(1R,2R,4R)-2,4-dimethylcyclohexyl]amino]methyl]-3H-quinazolin-4-one 2-[[[(1R,2R,4R)-2,4-dimethylcycl…

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) 2.80 6.64 -8.2 2 4 0 58 285.391 3 ↓
Hi High (pH 8-9.5) 3.26 5.04 -42.95 2 4 0 65 285.391 3 ↓
Mid Mid (pH 6-8) 2.80 7.6 -49.75 3 4 1 62 286.399 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(1R,2R,4S)-2,4-dimethylcyclohexyl]amino]methyl]-3H-quinazolin-4-one 2-[[[(1R,2R,4S)-2,4-dimethylcycl…

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) 2.80 6.41 -8.18 2 4 0 58 285.391 3 ↓
Hi High (pH 8-9.5) 3.26 4.81 -42.92 2 4 0 65 285.391 3 ↓
Mid Mid (pH 6-8) 2.80 7.37 -49.92 3 4 1 62 286.399 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(cyclohexylamino)methyl]-3H-quinazolin-4-one 2-[(cyclohexylamino)methyl]-3H-q…

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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) 2.55 5.14 -8.41 2 4 0 58 257.337 3 ↓
Mid Mid (pH 6-8) 3.01 3.77 -43.61 2 4 0 65 257.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.33 5.55 -8.38 2 4 0 58 271.364 3 ↓
Mid Mid (pH 6-8) 2.78 4.15 -44.52 2 4 0 65 271.364 3 ↓

Parameters Provided:

ring.id = 448447
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 = 448447 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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