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Analogs

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Popular Name: (4S)-4-phenyl-1,3,4,5,6,7-hexahydrocyclopenta[e]pyrimidin-2-one (4S)-4-phenyl-1,3,4,5,6,7-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) 2.43 5.25 -7.73 2 3 0 41 214.268 1 ↓

Analogs

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Popular Name: (4R)-4-phenyl-1,3,4,5,6,7-hexahydrocyclopenta[e]pyrimidin-2-one (4R)-4-phenyl-1,3,4,5,6,7-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) 2.43 5.36 -7.76 2 3 0 41 214.268 1 ↓

Analogs

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Popular Name: (4S)-4-(4-bromophenyl)-1,3,4,5,6,7-hexahydrocyclopenta[e]pyrimidin-2-one (4S)-4-(4-bromophenyl)-1,3,4,5,6…

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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) 3.24 5.99 -7.73 2 3 0 41 293.164 1 ↓

Analogs

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Popular Name: (4R)-4-(4-bromophenyl)-1,3,4,5,6,7-hexahydrocyclopenta[e]pyrimidin-2-one (4R)-4-(4-bromophenyl)-1,3,4,5,6…

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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) 3.24 5.87 -7.63 2 3 0 41 293.164 1 ↓

Analogs

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Popular Name: (4S)-4-(4-hydroxyphenyl)-1,3,4,5,6,7-hexahydrocyclopenta[e]pyrimidin-2-one (4S)-4-(4-hydroxyphenyl)-1,3,4,5…

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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) 1.95 2.52 -9.37 3 4 0 61 230.267 1 ↓

Analogs

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Popular Name: (4R)-4-(4-hydroxyphenyl)-1,3,4,5,6,7-hexahydrocyclopenta[e]pyrimidin-2-one (4R)-4-(4-hydroxyphenyl)-1,3,4,5…

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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) 1.95 2.51 -9.57 3 4 0 61 230.267 1 ↓

Analogs

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Popular Name: (4S)-4-(4-nitrophenyl)-1,3,4,5,6,7-hexahydrocyclopenta[e]pyrimidin-2-one (4S)-4-(4-nitrophenyl)-1,3,4,5,6…

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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) 2.39 6.04 -11.86 2 6 0 87 259.265 2 ↓

Analogs

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Popular Name: (4R)-4-(4-nitrophenyl)-1,3,4,5,6,7-hexahydrocyclopenta[e]pyrimidin-2-one (4R)-4-(4-nitrophenyl)-1,3,4,5,6…

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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) 2.39 6.04 -11.84 2 6 0 87 259.265 2 ↓

Analogs

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Popular Name: (4S)-4-(4-dimethylaminophenyl)-1,3,4,5,6,7-hexahydrocyclopenta[e]pyrimidin-2-one (4S)-4-(4-dimethylaminophenyl)-1…

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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) 2.53 5.78 -8.63 2 4 0 44 257.337 2 ↓

Analogs

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Popular Name: (4R)-4-(4-dimethylaminophenyl)-1,3,4,5,6,7-hexahydrocyclopenta[e]pyrimidin-2-one (4R)-4-(4-dimethylaminophenyl)-1…

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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) 2.53 5.67 -8.55 2 4 0 44 257.337 2 ↓

Analogs

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Popular Name: (4R)-4-(2-hydroxyphenyl)-1,3,4,5,6,7-hexahydrocyclopenta[e]pyrimidin-2-one (4R)-4-(2-hydroxyphenyl)-1,3,4,5…

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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) 2.37 3.05 -8.92 3 4 0 61 230.267 1 ↓

Analogs

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Popular Name: (4S)-4-(2-hydroxyphenyl)-1,3,4,5,6,7-hexahydrocyclopenta[e]pyrimidin-2-one (4S)-4-(2-hydroxyphenyl)-1,3,4,5…

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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) 2.37 3.19 -8.92 3 4 0 61 230.267 1 ↓

Analogs

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Popular Name: (4R)-4-(2-fluorophenyl)-1,3,4,5,6,7-hexahydrocyclopenta[e]pyrimidin-2-one (4R)-4-(2-fluorophenyl)-1,3,4,5,…

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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) 2.55 5.51 -7.09 2 3 0 41 232.258 1 ↓

Analogs

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Popular Name: (4S)-4-(2-fluorophenyl)-1,3,4,5,6,7-hexahydrocyclopenta[e]pyrimidin-2-one (4S)-4-(2-fluorophenyl)-1,3,4,5,…

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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) 2.55 5.46 -7.13 2 3 0 41 232.258 1 ↓

Analogs

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Popular Name: (4R)-4-(2,3-dimethoxyphenyl)-1,3,4,5,6,7-hexahydrocyclopenta[e]pyrimidin-2-one (4R)-4-(2,3-dimethoxyphenyl)-1,3…

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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) 2.25 4.08 -10.85 2 5 0 60 274.32 3 ↓

Analogs

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Popular Name: (4S)-4-(2,3-dimethoxyphenyl)-1,3,4,5,6,7-hexahydrocyclopenta[e]pyrimidin-2-one (4S)-4-(2,3-dimethoxyphenyl)-1,3…

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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) 2.25 4.1 -10.87 2 5 0 60 274.32 3 ↓

Parameters Provided:

ring.id = 259166
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 = 259166 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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