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Analogs

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Popular Name: (4S)-4-phenyl-3,4,5,6,7,8-hexahydro-1H-quinazolin-2-one (4S)-4-phenyl-3,4,5,6,7,8-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) 3.17 5.84 -7.5 2 3 0 41 228.295 1 ↓

Analogs

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Popular Name: (4R)-4-phenyl-3,4,5,6,7,8-hexahydro-1H-quinazolin-2-one (4R)-4-phenyl-3,4,5,6,7,8-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) 3.17 5.76 -7.56 2 3 0 41 228.295 1 ↓

Analogs

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Popular Name: (4S)-4-(4-bromophenyl)-3,4,5,6,7,8-hexahydro-1H-quinazolin-2-one (4S)-4-(4-bromophenyl)-3,4,5,6,7…

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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) 3.98 6.48 -7.5 2 3 0 41 307.191 1 ↓

Analogs

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Popular Name: (4R)-4-(4-bromophenyl)-3,4,5,6,7,8-hexahydro-1H-quinazolin-2-one (4R)-4-(4-bromophenyl)-3,4,5,6,7…

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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) 3.98 6.55 -7.6 2 3 0 41 307.191 1 ↓

Analogs

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Popular Name: (4S)-4-(4-hydroxyphenyl)-3,4,5,6,7,8-hexahydro-1H-quinazolin-2-one (4S)-4-(4-hydroxyphenyl)-3,4,5,6…

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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) 2.69 3.02 -9.12 3 4 0 61 244.294 1 ↓

Analogs

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Popular Name: (4R)-4-(4-hydroxyphenyl)-3,4,5,6,7,8-hexahydro-1H-quinazolin-2-one (4R)-4-(4-hydroxyphenyl)-3,4,5,6…

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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) 2.69 2.9 -9.38 3 4 0 61 244.294 1 ↓

Analogs

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Popular Name: (4S)-4-(4-nitrophenyl)-3,4,5,6,7,8-hexahydro-1H-quinazolin-2-one (4S)-4-(4-nitrophenyl)-3,4,5,6,7…

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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) 3.13 6.53 -11.73 2 6 0 87 273.292 2 ↓

Analogs

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Popular Name: (4R)-4-(4-nitrophenyl)-3,4,5,6,7,8-hexahydro-1H-quinazolin-2-one (4R)-4-(4-nitrophenyl)-3,4,5,6,7…

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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) 3.13 6.42 -11.68 2 6 0 87 273.292 2 ↓

Analogs

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Popular Name: (4S)-4-(4-dimethylaminophenyl)-3,4,5,6,7,8-hexahydro-1H-quinazolin-2-one (4S)-4-(4-dimethylaminophenyl)-3…

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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) 3.27 6.26 -8.24 2 4 0 44 271.364 2 ↓

Analogs

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Popular Name: (4R)-4-(4-dimethylaminophenyl)-3,4,5,6,7,8-hexahydro-1H-quinazolin-2-one (4R)-4-(4-dimethylaminophenyl)-3…

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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) 3.27 6.39 -8.4 2 4 0 44 271.364 2 ↓

Analogs

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Popular Name: (4R)-4-(2-furyl)-3,4,5,6,7,8-hexahydro-1H-quinazolin-2-one (4R)-4-(2-furyl)-3,4,5,6,7,8-hex…

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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) 2.43 3.74 -8.93 2 4 0 54 218.256 1 ↓

Analogs

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Popular Name: (4S)-4-(2-furyl)-3,4,5,6,7,8-hexahydro-1H-quinazolin-2-one (4S)-4-(2-furyl)-3,4,5,6,7,8-hex…

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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) 2.43 3.71 -8.98 2 4 0 54 218.256 1 ↓

Analogs

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Popular Name: (4R)-4-(2-hydroxyphenyl)-3,4,5,6,7,8-hexahydro-1H-quinazolin-2-one (4R)-4-(2-hydroxyphenyl)-3,4,5,6…

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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) 3.11 2.51 -9.18 3 4 0 61 244.294 1 ↓

Analogs

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Popular Name: (4S)-4-(2-hydroxyphenyl)-3,4,5,6,7,8-hexahydro-1H-quinazolin-2-one (4S)-4-(2-hydroxyphenyl)-3,4,5,6…

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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) 3.11 2.5 -9.21 3 4 0 61 244.294 1 ↓

Analogs

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Popular Name: (4R)-4-(2-fluorophenyl)-3,4,5,6,7,8-hexahydro-1H-quinazolin-2-one (4R)-4-(2-fluorophenyl)-3,4,5,6,…

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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) 3.29 5.91 -6.83 2 3 0 41 246.285 1 ↓

Analogs

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Popular Name: (4S)-4-(2-fluorophenyl)-3,4,5,6,7,8-hexahydro-1H-quinazolin-2-one (4S)-4-(2-fluorophenyl)-3,4,5,6,…

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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) 3.29 6.02 -6.72 2 3 0 41 246.285 1 ↓

Analogs

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Popular Name: (4S)-4-(4-pyridyl)-3,4,5,6,7,8-hexahydro-1H-quinazolin-2-one (4S)-4-(4-pyridyl)-3,4,5,6,7,8-h…

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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) 1.88 3.89 -8.82 2 4 0 54 229.283 1 ↓
Lo Low (pH 4.5-6) 1.88 4.17 -39.96 3 4 1 55 230.291 1 ↓

Analogs

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Popular Name: (4R)-4-(4-pyridyl)-3,4,5,6,7,8-hexahydro-1H-quinazolin-2-one (4R)-4-(4-pyridyl)-3,4,5,6,7,8-h…

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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) 1.88 4.14 -8.92 2 4 0 54 229.283 1 ↓
Lo Low (pH 4.5-6) 1.88 4.42 -40.16 3 4 1 55 230.291 1 ↓

Analogs

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Popular Name: (4R)-4-(3-pyridyl)-3,4,5,6,7,8-hexahydro-1H-quinazolin-2-one (4R)-4-(3-pyridyl)-3,4,5,6,7,8-h…

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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) 1.93 4.05 -10.14 2 4 0 54 229.283 1 ↓
Lo Low (pH 4.5-6) 1.93 4.33 -37.68 3 4 1 55 230.291 1 ↓

Analogs

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Popular Name: (4S)-4-(3-pyridyl)-3,4,5,6,7,8-hexahydro-1H-quinazolin-2-one (4S)-4-(3-pyridyl)-3,4,5,6,7,8-h…

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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) 1.93 4.17 -10.25 2 4 0 54 229.283 1 ↓
Lo Low (pH 4.5-6) 1.93 4.45 -37.8 3 4 1 55 230.291 1 ↓

Analogs

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Popular Name: (4R)-4-(2,3-dimethoxyphenyl)-3,4,5,6,7,8-hexahydro-1H-quinazolin-2-one (4R)-4-(2,3-dimethoxyphenyl)-3,4…

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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) 2.99 4.69 -10.52 2 5 0 60 288.347 3 ↓

Analogs

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Popular Name: (4S)-4-(2,3-dimethoxyphenyl)-3,4,5,6,7,8-hexahydro-1H-quinazolin-2-one (4S)-4-(2,3-dimethoxyphenyl)-3,4…

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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) 2.99 5.48 -8.4 2 5 0 60 288.347 3 ↓

Analogs

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Popular Name: (4R)-4-(2-hydroxy-1-naphthyl)-3,4,5,6,7,8-hexahydro-1H-quinazolin-2-one (4R)-4-(2-hydroxy-1-naphthyl)-3,…

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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 5.2 -9.51 3 4 0 61 294.354 1 ↓

Analogs

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Popular Name: (4S)-4-(2-hydroxy-1-naphthyl)-3,4,5,6,7,8-hexahydro-1H-quinazolin-2-one (4S)-4-(2-hydroxy-1-naphthyl)-3,…

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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 5.25 -8.14 3 4 0 61 294.354 1 ↓

Parameters Provided:

ring.id = 259144
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 = 259144 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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