UCSF
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Popular Name: ethyl ethyl

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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) 2.50 12.98 -53.34 2 8 1 95 447.515 8 ↓
Hi High (pH 8-9.5) 2.50 10.69 -23.33 1 8 0 94 446.507 8 ↓

Analogs

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Popular Name: 2-(6-benzyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide 2-(6-benzyl-4-oxo-7,8-dihydro-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) 1.99 10.69 -50.23 2 7 1 78 405.478 6 ↓
Mid Mid (pH 6-8) 1.99 8.4 -21.26 1 7 0 76 404.47 6 ↓

Analogs

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Popular Name: 2-(6-benzyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(p-tolyl)acetamide 2-(6-benzyl-4-oxo-7,8-dihydro-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) 2.41 12.07 -49.2 2 6 1 68 389.479 5 ↓
Mid Mid (pH 6-8) 2.41 9.78 -20.56 1 6 0 67 388.471 5 ↓

Analogs

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Popular Name: 2-(6-benzyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(3,5-dimethylphenyl)acetamide 2-(6-benzyl-4-oxo-7,8-dihydro-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) 2.78 12.73 -49.29 2 6 1 68 403.506 5 ↓
Mid Mid (pH 6-8) 2.78 10.45 -20.61 1 6 0 67 402.498 5 ↓

Analogs

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Popular Name: N-(4-acetylphenyl)-2-(6-benzyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)acetamide N-(4-acetylphenyl)-2-(6-benzyl-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) 1.86 11.89 -54.22 2 7 1 86 417.489 6 ↓
Mid Mid (pH 6-8) 1.86 9.6 -23.93 1 7 0 84 416.481 6 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.13 12.05 -53.53 2 8 1 95 433.488 7 ↓
Mid Mid (pH 6-8) 2.13 9.76 -23.53 1 8 0 94 432.48 7 ↓

Analogs

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Popular Name: 2-(6-benzyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-butylphenyl)acetamide 2-(6-benzyl-4-oxo-7,8-dihydro-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) 3.82 14.39 -48.8 2 6 1 68 431.56 8 ↓
Mid Mid (pH 6-8) 3.82 12.11 -20.31 1 6 0 67 430.552 8 ↓

Analogs

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Popular Name: 2-(6-benzyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(2-methoxyphenyl)acetamide 2-(6-benzyl-2-methyl-4-oxo-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) 2.06 10.65 -48.06 2 7 1 78 419.505 6 ↓
Hi High (pH 8-9.5) 2.06 8.36 -20.28 1 7 0 76 418.497 6 ↓

Analogs

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Popular Name: 2-(6-benzyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(3,4-dimethylphenyl)acetami 2-(6-benzyl-2-methyl-4-oxo-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) 2.87 12.45 -49.31 2 6 1 68 417.533 5 ↓
Hi High (pH 8-9.5) 2.87 10.16 -21.77 1 6 0 67 416.525 5 ↓

Analogs

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Popular Name: 2-(6-benzyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-ethyl-N-phenyl-acetamide 2-(6-benzyl-2-methyl-4-oxo-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) 2.67 13.77 -49.74 1 6 1 60 417.533 6 ↓
Mid Mid (pH 6-8) 2.67 11.48 -22.67 0 6 0 58 416.525 6 ↓

Analogs

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Popular Name: 2-(6-benzyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide 2-(6-benzyl-2-methyl-4-oxo-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) 2.10 10.53 -50.24 2 7 1 78 419.505 6 ↓
Hi High (pH 8-9.5) 2.10 8.25 -22.19 1 7 0 76 418.497 6 ↓

Analogs

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Popular Name: 2-(6-benzyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(3-fluoro-4-methyl-phenyl)a 2-(6-benzyl-2-methyl-4-oxo-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) 2.59 11.93 -51.4 2 6 1 68 421.496 5 ↓
Hi High (pH 8-9.5) 2.59 9.64 -24.15 1 6 0 67 420.488 5 ↓

Analogs

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Popular Name: 2-(6-benzyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(3,5-dimethoxyphenyl)acetam 2-(6-benzyl-2-methyl-4-oxo-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) 2.09 9.84 -51.66 2 8 1 87 449.531 7 ↓
Hi High (pH 8-9.5) 2.09 7.56 -24.47 1 8 0 86 448.523 7 ↓

Analogs

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Popular Name: 2-(6-benzyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(3-methylsulfanylphenyl)ace 2-(6-benzyl-2-methyl-4-oxo-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) 2.46 12.26 -51.33 2 6 1 68 435.573 6 ↓
Hi High (pH 8-9.5) 2.46 9.97 -25.16 1 6 0 67 434.565 6 ↓

Analogs

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Popular Name: 2-(6-benzyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(3,4-dimethoxyphenyl)acetam 2-(6-benzyl-2-methyl-4-oxo-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) 1.69 10.45 -52.61 2 8 1 87 449.531 7 ↓
Hi High (pH 8-9.5) 1.69 8.15 -23.95 1 8 0 86 448.523 7 ↓

Analogs

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Popular Name: N-(4-acetamidophenyl)-2-(6-benzyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)acetamid N-(4-acetamidophenyl)-2-(6-benzy…

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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) 1.26 10.13 -57.27 3 8 1 98 446.531 6 ↓
Hi High (pH 8-9.5) 1.26 7.86 -31.41 2 8 0 96 445.523 6 ↓

Analogs

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Popular Name: 2-(6-benzyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-butylphenyl)acetamide 2-(6-benzyl-2-methyl-4-oxo-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) 3.91 14.22 -48.91 2 6 1 68 445.587 8 ↓
Hi High (pH 8-9.5) 3.91 11.93 -21.24 1 6 0 67 444.579 8 ↓

Analogs

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Popular Name: 2-(6-benzyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(3,5-difluorophenyl)acetami 2-(6-benzyl-2-methyl-4-oxo-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) 2.30 11.37 -50.13 2 6 1 68 425.459 5 ↓
Hi High (pH 8-9.5) 2.30 9.09 -21.74 1 6 0 67 424.451 5 ↓

Analogs

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Popular Name: 2-(6-benzyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(5-fluoro-2-methyl-phenyl)a 2-(6-benzyl-2-methyl-4-oxo-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) 2.59 12.17 -51.01 2 6 1 68 421.496 5 ↓
Hi High (pH 8-9.5) 2.59 9.89 -23.63 1 6 0 67 420.488 5 ↓

Analogs

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Popular Name: 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-ethyl-N-(m-tolyl)acetamide 2-(6-benzyl-2-ethyl-4-oxo-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) 3.66 15.46 -48.36 1 6 1 60 445.587 7 ↓
Mid Mid (pH 6-8) 3.66 13.18 -20.16 0 6 0 58 444.579 7 ↓

Analogs

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Popular Name: 2-[4-oxo-6-(p-tolylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-(p-tolyl)acetamide 2-[4-oxo-6-(p-tolylmethyl)-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) 2.86 12.75 -49.48 2 6 1 68 403.506 5 ↓
Hi High (pH 8-9.5) 2.86 10.47 -21.01 1 6 0 67 402.498 5 ↓

Analogs

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Popular Name: N-(4-methoxyphenyl)-2-[4-oxo-6-(p-tolylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide N-(4-methoxyphenyl)-2-[4-oxo-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) 2.46 11.37 -50.88 2 7 1 78 419.505 6 ↓
Hi High (pH 8-9.5) 2.46 9.08 -22 1 7 0 76 418.497 6 ↓

Analogs

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Popular Name: 2-[2-methyl-6-(m-tolylmethyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-(p-tolyl)acetamide 2-[2-methyl-6-(m-tolylmethyl)-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) 2.92 12.56 -49.42 2 6 1 68 417.533 5 ↓
Hi High (pH 8-9.5) 2.92 10.27 -21.85 1 6 0 67 416.525 5 ↓

Analogs

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Popular Name: N-(2,5-dimethylphenyl)-2-[2-methyl-6-(m-tolylmethyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-y N-(2,5-dimethylphenyl)-2-[2-meth…

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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) 3.30 13.51 -48.98 2 6 1 68 431.56 5 ↓
Hi High (pH 8-9.5) 3.30 11.23 -21.96 1 6 0 67 430.552 5 ↓

Parameters Provided:

ring.id = 370379
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 370379 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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