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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: (5-oxo-2,3,6,7,8,9-hexahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-3-yl)acetic acid (5-oxo-2,3,6,7,8,9-hexahydro-5H-…

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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) 1.20 6.06 -47.59 0 5 -1 75 265.314 2 ↓

Analogs

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Popular Name: (5-oxo-2,3,6,7,8,9-hexahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-3-yl)acetic acid (5-oxo-2,3,6,7,8,9-hexahydro-5H-…

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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) 1.20 6.06 -47.59 0 5 -1 75 265.314 2 ↓

Analogs

38756690
38756690
38756692
38756692

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Popular Name: (3R)-3-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-2,3,6,7,8,9-hexahydrothiazolo[2,3-b]quinazolin-5-one (3R)-3-[2-(4-methylpiperazin-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) 1.20 6.1 -10.3 0 6 0 58 348.472 2 ↓

Analogs

38756690
38756690
38756692
38756692

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Popular Name: (3S)-3-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-2,3,6,7,8,9-hexahydrothiazolo[2,3-b]quinazolin-5-one (3S)-3-[2-(4-methylpiperazin-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) 1.20 6.11 -9.48 0 6 0 58 348.472 2 ↓

Analogs

38756690
38756690
38756692
38756692

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[2-(4-ethylpiperazin-1-yl)-2-oxo-ethyl]-2,3,6,7,8,9-hexahydrothiazolo[2,3-b]quinazolin-5-one (3R)-3-[2-(4-ethylpiperazin-1-yl…

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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) 1.58 6.92 -9.61 0 6 0 58 362.499 3 ↓

Analogs

38756690
38756690
38756692
38756692

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[2-(4-ethylpiperazin-1-yl)-2-oxo-ethyl]-2,3,6,7,8,9-hexahydrothiazolo[2,3-b]quinazolin-5-one (3S)-3-[2-(4-ethylpiperazin-1-yl…

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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) 1.58 6.91 -9.23 0 6 0 58 362.499 3 ↓

Analogs

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Popular Name: (3R)-3-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-2,3,6,7,8,9-hexahydrothiazolo[2,3-b]quinazolin-5-one (3R)-3-[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) 2.60 9.82 -10.65 0 6 0 58 424.57 4 ↓

Analogs

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Popular Name: (3S)-3-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-2,3,6,7,8,9-hexahydrothiazolo[2,3-b]quinazolin-5-one (3S)-3-[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) 2.60 9.82 -10.13 0 6 0 58 424.57 4 ↓

Analogs

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Popular Name: (3R)-3-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-2,3,6,7,8,9-hexahydrothiazolo[2,3-b]quinaz (3R)-3-[2-[4-(2-chlorophenyl)pip…

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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) 3.53 10.57 -10.05 0 6 0 58 444.988 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-2,3,6,7,8,9-hexahydrothiazolo[2,3-b]quinaz (3S)-3-[2-[4-(2-chlorophenyl)pip…

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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) 3.53 10.18 -11.22 0 6 0 58 444.988 3 ↓

Analogs

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Popular Name: 2-[(3R)-5-oxo-2,3,6,7,8,9-hexahydrothiazolo[2,3-b]quinazolin-3-yl]-N-(4-pyridyl)acetamide 2-[(3R)-5-oxo-2,3,6,7,8,9-hexahy…

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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) 1.47 6.56 -12.86 1 6 0 77 342.424 3 ↓

Analogs

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Popular Name: 2-[(3S)-5-oxo-2,3,6,7,8,9-hexahydrothiazolo[2,3-b]quinazolin-3-yl]-N-(4-pyridyl)acetamide 2-[(3S)-5-oxo-2,3,6,7,8,9-hexahy…

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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) 1.47 6.54 -13.66 1 6 0 77 342.424 3 ↓

Analogs

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Popular Name: N-(3-methyl-2-pyridyl)-2-[(3R)-5-oxo-2,3,6,7,8,9-hexahydrothiazolo[2,3-b]quinazolin-3-yl]acetamide N-(3-methyl-2-pyridyl)-2-[(3R)-5…

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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) 2.26 8.78 -15.77 1 6 0 77 356.451 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-methyl-2-pyridyl)-2-[(3S)-5-oxo-2,3,6,7,8,9-hexahydrothiazolo[2,3-b]quinazolin-3-yl]acetamide N-(3-methyl-2-pyridyl)-2-[(3S)-5…

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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) 2.26 8.78 -15.71 1 6 0 77 356.451 3 ↓

Analogs

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Popular Name: (3R)-3-[2-(azepan-1-yl)-2-oxo-ethyl]-2,3,6,7,8,9-hexahydrothiazolo[2,3-b]quinazolin-5-one (3R)-3-[2-(azepan-1-yl)-2-oxo-et…

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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) 2.72 9.57 -8.99 0 5 0 55 347.484 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[2-(azepan-1-yl)-2-oxo-ethyl]-2,3,6,7,8,9-hexahydrothiazolo[2,3-b]quinazolin-5-one (3S)-3-[2-(azepan-1-yl)-2-oxo-et…

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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) 2.72 9.59 -9.92 0 5 0 55 347.484 2 ↓

Parameters Provided:

ring.id = 107750
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 = 107750 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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