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Analogs

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Popular Name: 7-[(2,6-difluorophenyl)methyl]-2-isopropyl-4-morpholino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-[(2,6-difluorophenyl)methyl]-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 7.89 -27.52 1 5 1 43 389.47 4 ↓
Hi High (pH 8-9.5) 3.09 7.54 -8.07 0 5 0 41 388.462 4 ↓

Analogs

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Popular Name: 7-[(2,6-dimethoxyphenyl)methyl]-2-isopropyl-4-morpholino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-[(2,6-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) 2.87 6.78 -27.95 1 7 1 61 413.542 6 ↓
Hi High (pH 8-9.5) 2.87 6.43 -9.15 0 7 0 60 412.534 6 ↓
Mid Mid (pH 6-8) 2.87 9.12 -96.9 2 7 2 62 414.55 6 ↓

Analogs

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

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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) 2.21 5.02 -37.11 2 8 1 81 429.541 6 ↓
Hi High (pH 8-9.5) 2.21 4.65 -13.47 1 8 0 80 428.533 6 ↓
Mid Mid (pH 6-8) 2.21 7.34 -123.2 3 8 2 83 430.549 6 ↓

Analogs

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Popular Name: 2-isopropyl-4-morpholino-7-[(3,4,5-trimethoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 2-isopropyl-4-morpholino-7-[(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) 2.49 7.02 -38.06 1 8 1 70 443.568 7 ↓
Hi High (pH 8-9.5) 2.49 6.66 -13.32 0 8 0 69 442.56 7 ↓
Mid Mid (pH 6-8) 2.49 9.34 -126.49 2 8 2 72 444.576 7 ↓

Analogs

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Popular Name: 2-isopropyl-4-morpholino-7-[(2,4,5-trimethoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 2-isopropyl-4-morpholino-7-[(2,4…

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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) 2.49 6.29 -32.26 1 8 1 70 443.568 7 ↓
Hi High (pH 8-9.5) 2.49 5.94 -11.47 0 8 0 69 442.56 7 ↓
Mid Mid (pH 6-8) 2.49 8.73 -110.68 2 8 2 72 444.576 7 ↓

Analogs

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Popular Name: 7-[(3,5-dimethoxyphenyl)methyl]-2-isopropyl-4-morpholino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-[(3,5-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) 2.90 6.5 -30.82 1 7 1 61 413.542 6 ↓
Hi High (pH 8-9.5) 2.90 6.15 -9.86 0 7 0 60 412.534 6 ↓
Mid Mid (pH 6-8) 2.90 8.82 -112 2 7 2 62 414.55 6 ↓

Analogs

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

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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) 2.83 4.25 -30.05 2 7 1 72 399.515 5 ↓
Hi High (pH 8-9.5) 2.83 3.9 -11.36 1 7 0 71 398.507 5 ↓
Mid Mid (pH 6-8) 2.83 6.73 -104.46 3 7 2 73 400.523 5 ↓

Analogs

34987734
34987734

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(2,5-dimethoxyphenyl)methyl]-2-isopropyl-4-morpholino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-[(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) 2.90 6.37 -28.04 1 7 1 61 413.542 6 ↓
Hi High (pH 8-9.5) 2.90 6.02 -9.01 0 7 0 60 412.534 6 ↓
Lo Low (pH 4.5-6) 2.90 8.45 -42.69 1 7 1 61 413.542 6 ↓

Analogs

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Popular Name: 7-[(3,4-difluorophenyl)methyl]-2-isopropyl-4-morpholino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-[(3,4-difluorophenyl)methyl]-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) 3.11 7.56 -38.41 1 5 1 43 389.47 4 ↓
Hi High (pH 8-9.5) 3.11 7.19 -9.66 0 5 0 41 388.462 4 ↓
Mid Mid (pH 6-8) 3.11 9.94 -129.97 2 5 2 44 390.478 4 ↓

Analogs

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

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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) 2.19 4.76 -35.63 2 7 1 72 399.515 5 ↓
Hi High (pH 8-9.5) 2.19 4.41 -13.13 1 7 0 71 398.507 5 ↓
Mid Mid (pH 6-8) 2.19 7.14 -119.73 3 7 2 73 400.523 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.19 4.91 -32.67 2 7 1 72 399.515 5 ↓
Hi High (pH 8-9.5) 2.19 4.56 -10.22 1 7 0 71 398.507 5 ↓
Mid Mid (pH 6-8) 2.19 7.29 -115.88 3 7 2 73 400.523 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(3,4-dimethoxyphenyl)methyl]-2-isopropyl-4-morpholino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-[(3,4-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) 2.50 6.88 -32.76 1 7 1 61 413.542 6 ↓
Hi High (pH 8-9.5) 2.50 6.53 -11.02 0 7 0 60 412.534 6 ↓
Mid Mid (pH 6-8) 2.50 9.26 -117.5 2 7 2 62 414.55 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-isopropyl-4-morpholino-7-[(2,3,4-trimethoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 2-isopropyl-4-morpholino-7-[(2,3…

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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) 2.69 7.73 -34.78 1 8 1 70 443.568 7 ↓
Hi High (pH 8-9.5) 2.69 7.39 -11.08 0 8 0 69 442.56 7 ↓
Mid Mid (pH 6-8) 2.69 9.51 -113.46 2 8 2 72 444.576 7 ↓

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) 3.03 8.08 -36.69 1 7 1 69 411.526 6 ↓
Hi High (pH 8-9.5) 3.03 7.71 -11.67 0 7 0 68 410.518 6 ↓
Mid Mid (pH 6-8) 3.03 10.45 -127.82 2 7 2 70 412.534 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-isopropyl-4-morpholino-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin 2-isopropyl-4-morpholino-7-[[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) 3.75 8.44 -34.74 1 5 1 43 421.487 5 ↓
Hi High (pH 8-9.5) 3.75 8.07 -8.39 0 5 0 41 420.479 5 ↓
Mid Mid (pH 6-8) 3.75 10.82 -125.77 2 5 2 44 422.495 5 ↓

Analogs

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Popular Name: 7-[(4-fluorophenyl)methyl]-2-isopropyl-4-morpholino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-[(4-fluorophenyl)methyl]-2-iso…

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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) 3.02 7.5 -33.64 1 5 1 43 371.48 4 ↓
Hi High (pH 8-9.5) 3.02 7.14 -8.08 0 5 0 41 370.472 4 ↓
Mid Mid (pH 6-8) 3.02 9.89 -122.15 2 5 2 44 372.488 4 ↓

Analogs

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

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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) 2.08 6.27 -36.35 2 7 1 72 410.542 5 ↓
Hi High (pH 8-9.5) 2.08 5.91 -15.66 1 7 0 71 409.534 5 ↓
Mid Mid (pH 6-8) 2.08 8.65 -119.89 3 7 2 73 411.55 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-isopropyl-7-[(4-methoxyphenyl)methyl]-4-morpholino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 2-isopropyl-7-[(4-methoxyphenyl)…

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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) 2.91 6.75 -31.98 1 6 1 52 383.516 5 ↓
Hi High (pH 8-9.5) 2.91 6.39 -8.5 0 6 0 51 382.508 5 ↓
Mid Mid (pH 6-8) 2.91 9.13 -117.3 2 6 2 53 384.524 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(2,4-difluorophenyl)methyl]-2-isopropyl-4-morpholino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-[(2,4-difluorophenyl)methyl]-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) 3.11 8 -34.62 1 5 1 43 389.47 4 ↓
Hi High (pH 8-9.5) 3.11 7.65 -8.38 0 5 0 41 388.462 4 ↓
Lo Low (pH 4.5-6) 3.11 10.35 -116.71 2 5 2 44 390.478 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.83 4.38 -33.07 2 7 1 72 399.515 5 ↓
Hi High (pH 8-9.5) 2.83 4.03 -11.02 1 7 0 71 398.507 5 ↓
Mid Mid (pH 6-8) 2.83 6.77 -109.55 3 7 2 73 400.523 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(2,4-dimethoxyphenyl)methyl]-2-isopropyl-4-morpholino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-[(2,4-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) 2.90 6.57 -32.21 1 7 1 61 413.542 6 ↓
Hi High (pH 8-9.5) 2.90 6.22 -9.26 0 7 0 60 412.534 6 ↓
Mid Mid (pH 6-8) 2.90 8.98 -109.53 2 7 2 62 414.55 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-isopropyl-4-morpholino-7-[[3-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin 2-isopropyl-4-morpholino-7-[[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) 3.73 8.65 -29.11 1 5 1 43 421.487 5 ↓
Hi High (pH 8-9.5) 3.73 8.31 -8.37 0 5 0 41 420.479 5 ↓
Mid Mid (pH 6-8) 3.73 11.03 -115.4 2 5 2 44 422.495 5 ↓

Analogs

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Popular Name: 7-[(3-chlorophenyl)methyl]-2-isopropyl-4-morpholino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-[(3-chlorophenyl)methyl]-2-iso…

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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) 3.51 8.39 -29.42 1 5 1 43 387.935 4 ↓
Hi High (pH 8-9.5) 3.51 8.04 -7.65 0 5 0 41 386.927 4 ↓
Mid Mid (pH 6-8) 3.51 10.7 -113.78 2 5 2 44 388.943 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(3-fluorophenyl)methyl]-2-isopropyl-4-morpholino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-[(3-fluorophenyl)methyl]-2-iso…

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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) 3.00 7.94 -30.11 1 5 1 43 371.48 4 ↓
Hi High (pH 8-9.5) 3.00 7.59 -8.48 0 5 0 41 370.472 4 ↓
Mid Mid (pH 6-8) 3.00 10.25 -115.1 2 5 2 44 372.488 4 ↓

Analogs

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

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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) 2.35 4.76 -33.23 2 6 1 63 369.489 4 ↓
Hi High (pH 8-9.5) 2.35 4.41 -10.51 1 6 0 62 368.481 4 ↓
Mid Mid (pH 6-8) 2.35 7.14 -116.41 3 6 2 64 370.497 4 ↓

Analogs

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Popular Name: 2-isopropyl-7-[(3-methoxyphenyl)methyl]-4-morpholino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 2-isopropyl-7-[(3-methoxyphenyl)…

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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) 2.89 6.95 -27.7 1 6 1 52 383.516 5 ↓
Hi High (pH 8-9.5) 2.89 6.6 -8.59 0 6 0 51 382.508 5 ↓
Mid Mid (pH 6-8) 2.89 9.33 -108.78 2 6 2 53 384.524 5 ↓

Analogs

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

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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) 2.40 5.03 -29.85 2 7 1 72 399.515 5 ↓
Hi High (pH 8-9.5) 2.40 4.67 -9.73 1 7 0 71 398.507 5 ↓
Mid Mid (pH 6-8) 2.40 7.43 -103.93 3 7 2 73 400.523 5 ↓

Analogs

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Popular Name: 7-[(2,3-dimethoxyphenyl)methyl]-2-isopropyl-4-morpholino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-[(2,3-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) 2.68 7 -31.07 1 7 1 61 413.542 6 ↓
Hi High (pH 8-9.5) 2.68 6.64 -10.76 0 7 0 60 412.534 6 ↓
Lo Low (pH 4.5-6) 2.68 9.05 -45.68 1 7 1 61 413.542 6 ↓

Analogs

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Popular Name: 7-benzyl-2-isopropyl-4-morpholino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-benzyl-2-isopropyl-4-morpholin…

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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 7.44 -29.95 1 5 1 43 353.49 4 ↓
Hi High (pH 8-9.5) 2.86 7.07 -6.65 0 5 0 41 352.482 4 ↓
Mid Mid (pH 6-8) 2.86 9.82 -113.66 2 5 2 44 354.498 4 ↓

Analogs

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Popular Name: 7-[(2-chlorophenyl)methyl]-2-isopropyl-4-morpholino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-[(2-chlorophenyl)methyl]-2-iso…

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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) 3.49 8.5 -30.68 1 5 1 43 387.935 4 ↓
Hi High (pH 8-9.5) 3.49 8.14 -7.03 0 5 0 41 386.927 4 ↓
Lo Low (pH 4.5-6) 3.49 10.78 -106.48 2 5 2 44 388.943 4 ↓

Analogs

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Popular Name: 7-[(2-fluorophenyl)methyl]-2-isopropyl-4-morpholino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-[(2-fluorophenyl)methyl]-2-iso…

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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) 2.97 7.71 -25.71 1 5 1 43 371.48 4 ↓
Hi High (pH 8-9.5) 2.97 7.35 -8.71 0 5 0 41 370.472 4 ↓
Lo Low (pH 4.5-6) 2.97 10.02 -102.29 2 5 2 44 372.488 4 ↓

Analogs

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

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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) 2.80 5.05 -30.82 2 6 1 63 369.489 4 ↓
Hi High (pH 8-9.5) 2.80 4.7 -9.72 1 6 0 62 368.481 4 ↓
Mid Mid (pH 6-8) 2.80 7.46 -105.6 3 6 2 64 370.497 4 ↓

Analogs

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Popular Name: 2-isopropyl-7-[(2-methoxyphenyl)methyl]-4-morpholino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 2-isopropyl-7-[(2-methoxyphenyl)…

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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 7.25 -29.75 1 6 1 52 383.516 5 ↓
Hi High (pH 8-9.5) 2.87 6.91 -7.78 0 6 0 51 382.508 5 ↓
Mid Mid (pH 6-8) 2.87 9.66 -105.44 2 6 2 53 384.524 5 ↓

Parameters Provided:

ring.id = 50959
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 = 50959 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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