UCSF
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Analogs

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Popular Name: (3-methoxyphenyl)-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (3-methoxyphenyl)-(2-methyl-7,8-…

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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) 0.76 5.76 -10.95 0 5 0 55 283.331 2 ↓

Analogs

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Popular Name: (2-methoxyphenyl)-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (2-methoxyphenyl)-(2-methyl-7,8-…

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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) 1.28 6.53 -14.82 0 5 0 55 283.331 2 ↓

Analogs

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Popular Name: (3-chlorophenyl)-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (3-chlorophenyl)-(2-methyl-7,8-d…

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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) 1.38 6.97 -9.78 0 4 0 46 287.75 1 ↓

Analogs

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Popular Name: (3,4-difluorophenyl)-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (3,4-difluorophenyl)-(2-methyl-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) 0.98 6.58 -10.29 0 4 0 46 289.285 1 ↓

Analogs

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Popular Name: (4-fluorophenyl)-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (4-fluorophenyl)-(2-methyl-7,8-d…

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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) 0.89 6.53 -11.63 0 4 0 46 271.295 1 ↓

Analogs

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Popular Name: (3,5-difluorophenyl)-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (3,5-difluorophenyl)-(2-methyl-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) 0.98 6.59 -10.35 0 4 0 46 289.285 1 ↓

Analogs

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Popular Name: (2,4-dimethylphenyl)-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (2,4-dimethylphenyl)-(2-methyl-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) 1.55 7.76 -10.71 0 4 0 46 281.359 1 ↓

Analogs

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Popular Name: (2-bromophenyl)-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (2-bromophenyl)-(2-methyl-7,8-di…

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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) 1.49 7.09 -13.29 0 4 0 46 332.201 1 ↓

Analogs

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Popular Name: (2-chloro-6-fluoro-phenyl)-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (2-chloro-6-fluoro-phenyl)-(2-me…

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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 7.14 -12.91 0 4 0 46 305.74 1 ↓

Analogs

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Popular Name: (2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[2-(trifluoromethyl)phenyl]methanone (2-methyl-7,8-dihydro-5H-pyrido[…

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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) 1.57 7.49 -15.67 0 4 0 46 321.302 2 ↓

Analogs

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Popular Name: (2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[4-(trifluoromethyl)phenyl]methanone (2-methyl-7,8-dihydro-5H-pyrido[…

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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) 1.62 7.46 -11.8 0 4 0 46 321.302 2 ↓

Parameters Provided:

ring.id = 367660
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 = 367660 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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