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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: 6-[(1-isopropylindol-3-yl)methyl]-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[3,4-e]pyrimidin-4-one 6-[(1-isopropylindol-3-yl)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) 3.41 12.07 -43.8 2 6 1 58 392.527 4 ↓
Hi High (pH 8-9.5) 3.41 9.68 -12.93 1 6 0 57 391.519 4 ↓
Hi High (pH 8-9.5) 3.86 10.95 -51.53 1 6 0 61 391.519 4 ↓

Analogs

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Popular Name: 6-[(3S)-3-phenylbutyl]-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[3,4-e]pyrimidin-4-one 6-[(3S)-3-phenylbutyl]-2-pyrroli…

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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) 3.92 10.88 -44.14 2 5 1 53 353.49 5 ↓
Hi High (pH 8-9.5) 4.38 9.76 -51.52 1 5 0 57 352.482 5 ↓

Analogs

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Popular Name: 6-[(3R)-3-phenylbutyl]-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[3,4-e]pyrimidin-4-one 6-[(3R)-3-phenylbutyl]-2-pyrroli…

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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) 3.92 11.01 -43.27 2 5 1 53 353.49 5 ↓
Hi High (pH 8-9.5) 4.38 9.89 -50.64 1 5 0 57 352.482 5 ↓

Analogs

21640044
21640044
21640245
21640245

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Popular Name: 6-[(2,5-dimethoxyphenyl)methyl]-2-(4-methyl-1-piperidyl)-7,8-dihydro-5H-pyrido[3,4-e]pyrimidin-4-ol 6-[(2,5-dimethoxyphenyl)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) 3.24 8.2 -43.93 2 7 1 72 399.515 5 ↓
Mid Mid (pH 6-8) 3.24 5.76 -17.03 1 7 0 71 398.507 5 ↓

Analogs

21640192
21640192
21640308
21640308
12185076
12185076

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Popular Name: 6-[(4-hydroxy-3-methoxy-phenyl)methyl]-2-(4-methyl-1-piperidyl)-7,8-dihydro-5H-pyrido[3,4-e]pyrimidi 6-[(4-hydroxy-3-methoxy-phenyl)m…

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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) 2.54 6.7 -52.67 3 7 1 83 385.488 4 ↓
Mid Mid (pH 6-8) 2.54 4.31 -17.42 2 7 0 82 384.48 4 ↓

Analogs

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Popular Name: 4-[5-[[4-hydroxy-2-(4-methyl-1-piperidyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-2-furyl 4-[5-[[4-hydroxy-2-(4-methyl-1-p…

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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) 4.13 11.97 -55.58 2 7 1 90 430.532 4 ↓
Hi High (pH 8-9.5) 4.13 9.64 -19.85 1 7 0 89 429.524 4 ↓
Hi High (pH 8-9.5) 4.59 11.24 -62.16 1 7 0 93 429.524 4 ↓

Analogs

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Popular Name: 2-methyl-6-[(4-pyrrolidin-1-ylphenyl)methyl]-3,5,7,8-tetrahydropyrido[3,4-e]pyrimidin-4-one 2-methyl-6-[(4-pyrrolidin-1-ylph…

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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) 1.68 7.26 -43.88 2 5 1 53 325.436 3 ↓

Analogs

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Popular Name: 2-(azepan-1-yl)-6-[[3-(2-thienyl)-1H-pyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4 2-(azepan-1-yl)-6-[[3-(2-thienyl…

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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) 3.23 11.84 -39.4 3 7 1 82 411.555 4 ↓
Hi High (pH 8-9.5) 3.23 9.84 -15.04 2 7 0 81 410.547 4 ↓

Analogs

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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-[(2,3-dimethoxyphenyl)methyl]acetami 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) 1.48 11.32 -51.6 2 8 1 87 449.531 8 ↓
Mid Mid (pH 6-8) 1.48 9.05 -23.48 1 8 0 86 448.523 8 ↓

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)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) 0.55 7.05 -48.12 3 6 1 82 327.408 5 ↓
Mid Mid (pH 6-8) 0.55 4.76 -20.16 2 6 0 81 326.4 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-propyl-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) 1.80 10.13 -47 2 6 1 68 369.489 7 ↓
Mid Mid (pH 6-8) 1.80 7.84 -18.96 1 6 0 67 368.481 7 ↓

Analogs

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Popular Name: 6-benzyl-2-(1H-indazol-6-ylamino)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one 6-benzyl-2-(1H-indazol-6-ylamino…

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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) 3.06 10.27 -48.27 4 7 1 91 373.44 4 ↓
Ref Reference (pH 7) 3.06 10.33 -50.52 4 7 1 91 373.44 4 ↓
Hi High (pH 8-9.5) 3.52 8.59 -52.69 3 7 0 94 372.432 4 ↓

Analogs

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Popular Name: N-[3-[(6-benzyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)amino]phenyl]acetamide N-[3-[(6-benzyl-4-oxo-3,5,7,8-te…

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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 10.64 -47.36 4 7 1 91 390.467 5 ↓
Hi High (pH 8-9.5) 2.59 8.36 -18.87 3 7 0 90 389.459 5 ↓
Hi High (pH 8-9.5) 3.05 8.99 -63.28 3 7 0 94 389.459 5 ↓

Analogs

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Popular Name: 4-[(6-benzyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)amino]benzamide 4-[(6-benzyl-4-oxo-3,5,7,8-tetra…

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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) 2.22 8.42 -53.07 5 7 1 105 376.44 5 ↓
Hi High (pH 8-9.5) 2.22 6.12 -17.4 4 7 0 104 375.432 5 ↓
Hi High (pH 8-9.5) 2.68 6.74 -60.91 4 7 0 108 375.432 5 ↓

Analogs

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Popular Name: 6-benzyl-2-[3-(dimethylamino)propylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one 6-benzyl-2-[3-(dimethylamino)pro…

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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 10.55 -92.84 4 6 2 67 343.475 7 ↓
Hi High (pH 8-9.5) 1.99 8.26 -50.93 3 6 1 65 342.467 7 ↓
Hi High (pH 8-9.5) 2.44 8.54 -77.79 3 6 1 70 342.467 7 ↓

Analogs

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Popular Name: 6-benzyl-2-(5-hydroxypentylamino)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one 6-benzyl-2-(5-hydroxypentylamino…

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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 7.45 -44.81 4 6 1 82 343.451 8 ↓
Hi High (pH 8-9.5) 2.10 5.15 -13.86 3 6 0 81 342.443 8 ↓

Analogs

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Popular Name: N-[2-[(6-benzyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)amino]ethyl]acetamide N-[2-[(6-benzyl-4-oxo-3,5,7,8-te…

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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) 0.83 6.81 -50.71 4 7 1 91 342.423 6 ↓
Hi High (pH 8-9.5) 0.83 4.52 -18.04 3 7 0 90 341.415 6 ↓
Hi High (pH 8-9.5) 1.29 4.81 -54.69 3 7 0 94 341.415 6 ↓

Analogs

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Popular Name: 6-benzyl-2-[2-(1H-indol-3-yl)ethylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one 6-benzyl-2-[2-(1H-indol-3-yl)eth…

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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) 3.64 12.3 -45.47 4 6 1 78 400.506 6 ↓
Hi High (pH 8-9.5) 3.64 10 -15.6 3 6 0 77 399.498 6 ↓

Analogs

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

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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) 3.34 10.28 -44.62 2 7 1 78 439.923 5 ↓
Hi High (pH 8-9.5) 3.34 7.87 -18.08 1 7 0 76 438.915 5 ↓

Analogs

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Popular Name: N-(2,5-dichlorophenyl)-2-(6-methyl-4-oxo-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)acetami N-(2,5-dichlorophenyl)-2-(6-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) 3.96 11.49 -43.18 2 6 1 68 444.342 4 ↓
Hi High (pH 8-9.5) 3.96 9.06 -15.87 1 6 0 67 443.334 4 ↓

Analogs

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Popular Name: 2-(6-ethyl-4-oxo-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(2,4,6-trimethylphenyl)aceta 2-(6-ethyl-4-oxo-2-phenyl-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) 3.32 13.38 -43.33 2 6 1 68 431.56 5 ↓
Hi High (pH 8-9.5) 3.32 11.1 -17.8 1 6 0 67 430.552 5 ↓

Analogs

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Popular Name: 2-(6-ethyl-4-oxo-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-methyl-N-phenyl-acetamide 2-(6-ethyl-4-oxo-2-phenyl-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) 3.30 12.66 -44.66 1 6 1 60 403.506 5 ↓
Mid Mid (pH 6-8) 3.30 10.38 -19.04 0 6 0 58 402.498 5 ↓

Analogs

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Popular Name: N-(3-acetylphenyl)-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]ac N-(3-acetylphenyl)-2-[6-ethyl-2-…

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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) 3.09 11.47 -51.47 2 7 1 86 449.506 6 ↓
Hi High (pH 8-9.5) 3.09 9.18 -25.71 1 7 0 84 448.498 6 ↓

Analogs

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Popular Name: N-(2,6-dimethylphenyl)-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-y N-(2,6-dimethylphenyl)-2-[6-ethy…

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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) 3.08 12.8 -44.33 2 6 1 68 435.523 5 ↓
Hi High (pH 8-9.5) 3.08 10.51 -16.56 1 6 0 67 434.515 5 ↓

Analogs

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Popular Name: 2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-(5-fluoro-2-methyl 2-[6-ethyl-2-(4-fluorophenyl)-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) 3.76 12.04 -47.31 2 6 1 68 439.486 5 ↓
Hi High (pH 8-9.5) 3.76 9.76 -20.58 1 6 0 67 438.478 5 ↓

Analogs

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Popular Name: 2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-(p-tolylmethyl)ace 2-[6-ethyl-2-(4-fluorophenyl)-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) 3.37 11.87 -43.77 2 6 1 68 435.523 6 ↓
Mid Mid (pH 6-8) 3.37 9.58 -15.83 1 6 0 67 434.515 6 ↓

Analogs

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Popular Name: 2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-(2-ethyl-6-methyl- 2-[6-ethyl-2-(4-fluorophenyl)-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) 3.55 13.22 -43.39 2 6 1 68 449.55 6 ↓
Hi High (pH 8-9.5) 3.55 10.93 -15.93 1 6 0 67 448.542 6 ↓

Analogs

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Popular Name: N-(2,3-dimethylphenyl)-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-y N-(2,3-dimethylphenyl)-2-[6-ethy…

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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) 4.02 12.54 -45.49 2 6 1 68 435.523 5 ↓
Hi High (pH 8-9.5) 4.02 10.26 -17.96 1 6 0 67 434.515 5 ↓

Analogs

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Popular Name: N-(2,5-dimethylphenyl)-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-y N-(2,5-dimethylphenyl)-2-[6-ethy…

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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) 4.04 12.65 -45.34 2 6 1 68 435.523 5 ↓
Hi High (pH 8-9.5) 4.04 10.37 -17.94 1 6 0 67 434.515 5 ↓

Analogs

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Popular Name: N-(2-chlorophenyl)-2-(4-oxo-2-phenyl-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)acetamide N-(2-chlorophenyl)-2-(4-oxo-2-ph…

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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) 4.18 12.35 -42.65 2 6 1 68 437.951 6 ↓
Hi High (pH 8-9.5) 4.18 10.09 -15.64 1 6 0 67 436.943 6 ↓

Analogs

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

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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) 3.99 11.86 -43.85 2 7 1 78 447.559 7 ↓
Hi High (pH 8-9.5) 3.99 9.57 -17.81 1 7 0 76 446.551 7 ↓

Analogs

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Popular Name: N-(o-tolyl)-2-(4-oxo-2-phenyl-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)acetamide N-(o-tolyl)-2-(4-oxo-2-phenyl-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) 3.96 12.65 -44.67 2 6 1 68 417.533 6 ↓
Hi High (pH 8-9.5) 3.96 10.37 -18.88 1 6 0 67 416.525 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-(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: 2-(6-benzyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(3-phenylpropyl)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) 2.58 13.06 -49.29 2 6 1 68 417.533 8 ↓
Mid Mid (pH 6-8) 2.58 10.77 -20.64 1 6 0 67 416.525 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-[(4-methoxyphenyl)methyl]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) 1.72 8.52 -20.45 1 7 0 76 418.497 7 ↓
Mid Mid (pH 6-8) 1.72 10.81 -49.49 2 7 1 78 419.505 7 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-yl)-2-(6-benzyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)acetamide N-(1,3-benzodioxol-5-yl)-2-(6-be…

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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) 1.85 10.07 -53.76 2 8 1 87 419.461 5 ↓
Mid Mid (pH 6-8) 1.85 7.78 -25.42 1 8 0 86 418.453 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-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-[(4-isopropylphenyl)methyl]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) 3.17 11.15 -19.05 1 6 0 67 430.552 7 ↓
Mid Mid (pH 6-8) 3.17 13.44 -47.72 2 6 1 68 431.56 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-[(3,4-dimethoxyphenyl)methyl]acetami 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) 1.31 8.42 -22.59 1 8 0 86 448.523 8 ↓
Mid Mid (pH 6-8) 1.31 10.71 -52.13 2 8 1 87 449.531 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-[(1R)-1-methylpropyl]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) 1.56 10.12 -47.57 2 6 1 68 369.489 6 ↓
Mid Mid (pH 6-8) 1.56 7.83 -20.25 1 6 0 67 368.481 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-[(1S)-1-methylpropyl]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) 1.56 10.12 -47.6 2 6 1 68 369.489 6 ↓
Mid Mid (pH 6-8) 1.56 7.83 -20.24 1 6 0 67 368.481 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-isopentyl-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) 2.00 10.38 -47.71 2 6 1 68 383.516 7 ↓
Mid Mid (pH 6-8) 2.00 8.09 -20 1 6 0 67 382.508 7 ↓

Parameters Provided:

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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 = 51436 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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