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

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Popular Name: (2S)-1-[(1S)-1-methyl-2-(4-methylpiperazin-1-yl)ethyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-1-[(1S)-1-methyl-2-(4-methy…

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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) 2.87 9.12 -39.53 2 5 1 40 365.501 4 ↓
Hi High (pH 8-9.5) 2.87 6.74 -11.35 1 5 0 39 364.493 4 ↓

Analogs

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Popular Name: (2S)-1-[(1R)-1-methyl-2-(4-methylpiperazin-1-yl)ethyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-1-[(1R)-1-methyl-2-(4-methy…

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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) 2.87 9.08 -40.65 2 5 1 40 365.501 4 ↓
Hi High (pH 8-9.5) 2.87 6.71 -11.55 1 5 0 39 364.493 4 ↓

Analogs

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Popular Name: (2R)-2-phenyl-1-(2-piperazin-1-ylethyl)-2,3-dihydroquinazolin-4-one (2R)-2-phenyl-1-(2-piperazin-1-y…

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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) 1.94 5.31 -52.53 3 5 1 52 337.447 4 ↓
Hi High (pH 8-9.5) 1.94 3.95 -10.08 2 5 0 48 336.439 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-phenyl-1-(2-piperazin-1-ylethyl)-2,3-dihydroquinazolin-4-one (2S)-2-phenyl-1-(2-piperazin-1-y…

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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) 1.94 6.62 -51.15 3 5 1 52 337.447 4 ↓
Hi High (pH 8-9.5) 1.94 5.27 -10.42 2 5 0 48 336.439 4 ↓

Analogs

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Popular Name: (2S)-6-amino-1-[(1S)-1-methyl-2-(4-methylpiperazin-1-yl)ethyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-6-amino-1-[(1S)-1-methyl-2-…

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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) 1.92 7.11 -45.78 4 6 1 66 380.516 4 ↓
Hi High (pH 8-9.5) 1.92 4.74 -10.41 3 6 0 65 379.508 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-amino-1-[(1R)-1-methyl-2-(4-methylpiperazin-1-yl)ethyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-6-amino-1-[(1R)-1-methyl-2-…

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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) 1.92 6.94 -40.69 4 6 1 66 380.516 4 ↓
Hi High (pH 8-9.5) 1.92 4.57 -12.07 3 6 0 65 379.508 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(1S)-1-methyl-2-piperazin-1-yl-ethyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-1-[(1S)-1-methyl-2-piperazi…

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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) 2.27 6.91 -43.41 3 5 1 52 351.474 4 ↓
Hi High (pH 8-9.5) 2.27 5.56 -10.88 2 5 0 48 350.466 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(1R)-1-methyl-2-piperazin-1-yl-ethyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-1-[(1R)-1-methyl-2-piperazi…

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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) 2.27 6.89 -52.38 3 5 1 52 351.474 4 ↓
Hi High (pH 8-9.5) 2.27 5.53 -9.45 2 5 0 48 350.466 4 ↓

Parameters Provided:

ring.id = 197397
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 = 197397 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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