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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-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-1-[2-(4-benzylpiperazin-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) 3.94 12.43 -50.35 2 5 1 40 427.572 6 ↓
Mid Mid (pH 6-8) 3.94 12.44 -57.27 2 5 1 40 427.572 6 ↓
Mid Mid (pH 6-8) 3.94 10.17 -11.36 1 5 0 39 426.564 6 ↓

Analogs

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Popular Name: (2R)-1-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2R)-1-[2-(4-benzylpiperazin-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) 3.94 11.1 -50.16 2 5 1 40 427.572 6 ↓
Mid Mid (pH 6-8) 3.94 11.1 -58.08 2 5 1 40 427.572 6 ↓
Mid Mid (pH 6-8) 3.94 8.84 -10.93 1 5 0 39 426.564 6 ↓

Analogs

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

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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) 3.32 10.7 -49.3 4 6 1 66 456.614 6 ↓
Mid Mid (pH 6-8) 3.32 10.33 -54.41 4 6 1 66 456.614 6 ↓
Mid Mid (pH 6-8) 3.32 8.45 -11.44 3 6 0 65 455.606 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.32 10.53 -42.13 4 6 1 66 456.614 6 ↓
Mid Mid (pH 6-8) 3.32 10.37 -46.74 4 6 1 66 456.614 6 ↓
Mid Mid (pH 6-8) 3.32 8.27 -12.61 3 6 0 65 455.606 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 4.27 12.83 -49.01 2 5 1 40 441.599 6 ↓
Mid Mid (pH 6-8) 4.27 12.46 -54.46 2 5 1 40 441.599 6 ↓
Mid Mid (pH 6-8) 4.27 10.58 -10.79 1 5 0 39 440.591 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 4.27 12.67 -42.12 2 5 1 40 441.599 6 ↓
Mid Mid (pH 6-8) 4.27 12.5 -47.06 2 5 1 40 441.599 6 ↓
Mid Mid (pH 6-8) 4.27 10.41 -12.07 1 5 0 39 440.591 6 ↓

Parameters Provided:

ring.id = 197418
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 = 197418 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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