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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)-6-amino-1-[(1S)-2-[4-[2-(4-aminophenyl)ethyl]piperazin-1-yl]-1-methyl-ethyl]-2-phenyl-2,3-dihyd (2S)-6-amino-1-[(1S)-2-[4-[2-(4-…

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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 9.42 -50.29 6 7 1 92 485.656 7 ↓
Hi High (pH 8-9.5) 2.80 7.18 -11.91 5 7 0 91 484.648 7 ↓
Mid Mid (pH 6-8) 2.80 9.04 -54.3 6 7 1 92 485.656 7 ↓

Analogs

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Popular Name: (2S)-6-amino-1-[(1R)-2-[4-[2-(4-aminophenyl)ethyl]piperazin-1-yl]-1-methyl-ethyl]-2-phenyl-2,3-dihyd (2S)-6-amino-1-[(1R)-2-[4-[2-(4-…

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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 9.26 -44.81 6 7 1 92 485.656 7 ↓
Hi High (pH 8-9.5) 2.80 7 -13.83 5 7 0 91 484.648 7 ↓
Mid Mid (pH 6-8) 2.80 9.1 -48.52 6 7 1 92 485.656 7 ↓

Analogs

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

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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) 4.67 13.68 -50.62 2 5 1 40 455.626 7 ↓
Hi High (pH 8-9.5) 4.67 11.43 -10.67 1 5 0 39 454.618 7 ↓
Mid Mid (pH 6-8) 4.67 13.3 -54.31 2 5 1 40 455.626 7 ↓

Analogs

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

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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) 4.67 13.54 -53.48 2 5 1 40 455.626 7 ↓
Hi High (pH 8-9.5) 4.67 11.27 -10.42 1 5 0 39 454.618 7 ↓
Mid Mid (pH 6-8) 4.67 13.31 -58.04 2 5 1 40 455.626 7 ↓

Analogs

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

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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 9.82 -51.91 4 6 1 66 456.614 7 ↓
Hi High (pH 8-9.5) 3.42 7.56 -11.62 3 6 0 65 455.606 7 ↓
Mid Mid (pH 6-8) 3.42 9.83 -58.66 4 6 1 66 456.614 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 11.15 -51.47 4 6 1 66 456.614 7 ↓
Hi High (pH 8-9.5) 3.42 8.89 -12.1 3 6 0 65 455.606 7 ↓
Mid Mid (pH 6-8) 3.42 11.16 -57.81 4 6 1 66 456.614 7 ↓

Analogs

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Popular Name: (2S)-6-amino-1-[(1S)-1-methyl-2-(4-phenethylpiperazin-1-yl)ethyl]-2-phenyl-2,3-dihydroquinazolin-4-o (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) 3.72 11.43 -44.17 4 6 1 66 470.641 7 ↓
Hi High (pH 8-9.5) 3.72 9.17 -12.82 3 6 0 65 469.633 7 ↓
Mid Mid (pH 6-8) 3.72 11.5 -48.73 4 6 1 66 470.641 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-amino-1-[(1R)-1-methyl-2-(4-phenethylpiperazin-1-yl)ethyl]-2-phenyl-2,3-dihydroquinazolin-4-o (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) 3.72 11.41 -53.72 4 6 1 66 470.641 7 ↓
Hi High (pH 8-9.5) 3.72 9.14 -10.97 3 6 0 65 469.633 7 ↓
Mid Mid (pH 6-8) 3.72 11.17 -57.98 4 6 1 66 470.641 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 4.34 13.29 -51.79 2 5 1 40 441.599 7 ↓
Hi High (pH 8-9.5) 4.34 11.02 -11.14 1 5 0 39 440.591 7 ↓
Mid Mid (pH 6-8) 4.34 13.29 -57.22 2 5 1 40 441.599 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 4.34 11.97 -53.14 2 5 1 40 441.599 7 ↓
Hi High (pH 8-9.5) 4.34 9.7 -11 1 5 0 39 440.591 7 ↓
Mid Mid (pH 6-8) 4.34 11.96 -58.47 2 5 1 40 441.599 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(1S)-2-[4-[2-(4-aminophenyl)ethyl]piperazin-1-yl]-1-methyl-ethyl]-2-phenyl-2,3-dihydroquinaz (2S)-1-[(1S)-2-[4-[2-(4-aminophe…

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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) 3.75 11.55 -50.01 4 6 1 66 470.641 7 ↓
Hi High (pH 8-9.5) 3.75 9.31 -11.28 3 6 0 65 469.633 7 ↓
Mid Mid (pH 6-8) 3.75 11.18 -54.49 4 6 1 66 470.641 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(1R)-2-[4-[2-(4-aminophenyl)ethyl]piperazin-1-yl]-1-methyl-ethyl]-2-phenyl-2,3-dihydroquinaz (2S)-1-[(1R)-2-[4-[2-(4-aminophe…

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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) 3.75 11.41 -44.86 4 6 1 66 470.641 7 ↓
Hi High (pH 8-9.5) 3.75 9.14 -13.37 3 6 0 65 469.633 7 ↓
Mid Mid (pH 6-8) 3.75 11.23 -48.79 4 6 1 66 470.641 7 ↓

Parameters Provided:

ring.id = 197384
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 = 197384 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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