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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-bromo-3-pyridyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (5-bromo-3-pyridyl)-(7,8-dihydro…

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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) 1.23 5.47 -9.9 0 4 0 46 318.174 1 ↓
Lo Low (pH 4.5-6) 1.23 5.86 -39.57 1 4 1 47 319.182 1 ↓

Analogs

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Popular Name: 2-amino-4-(2-ethoxyphenyl)-6-(2-pyridylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile 2-amino-4-(2-ethoxyphenyl)-6-(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) 2.79 7.3 -10.31 2 6 0 88 385.471 5 ↓
Mid Mid (pH 6-8) 2.79 8.06 -39.85 3 6 1 89 386.479 5 ↓

Analogs

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Popular Name: 2-amino-6-(2-fluorophenyl)-4-(3-hydroxy-4-methoxy-phenyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboni 2-amino-6-(2-fluorophenyl)-4-(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) 3.33 7.29 -11.1 3 6 0 95 390.418 3 ↓

Analogs

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Popular Name: 2-amino-4-(2-furyl)-6-phenethyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile 2-amino-4-(2-furyl)-6-phenethyl-…

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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) 3.13 7.88 -8 2 5 0 79 344.418 4 ↓
Lo Low (pH 4.5-6) 3.13 10.19 -48.97 3 5 1 80 345.426 4 ↓

Analogs

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Popular Name: (2R)-2-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-phenyl-propan-1-one (2R)-2-amino-1-(7,8-dihydro-5H-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) 1.71 5.65 -10.56 2 4 0 59 281.359 2 ↓
Mid Mid (pH 6-8) 1.71 5.39 -48.13 3 4 1 61 282.367 2 ↓
Lo Low (pH 4.5-6) 1.71 5.79 -99 4 4 2 62 283.375 2 ↓

Analogs

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Popular Name: (2S)-2-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-phenyl-propan-1-one (2S)-2-amino-1-(7,8-dihydro-5H-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) 1.71 5.21 -9.74 2 4 0 59 281.359 2 ↓
Mid Mid (pH 6-8) 1.71 5.43 -56.14 3 4 1 61 282.367 2 ↓
Lo Low (pH 4.5-6) 1.71 5.83 -99.05 4 4 2 62 283.375 2 ↓

Analogs

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Popular Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydro[1,6]naphthyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide 2-[(3-cyano-6-methyl-5,6,7,8-tet…

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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 6.27 -13.86 1 5 0 69 356.426 4 ↓

Analogs

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Popular Name: 6-methyl-2-[(2-phenoxyethyl)sulfanyl]-5,6,7,8-tetrahydro[1,6]naphthyridine-3-carbonitrile 6-methyl-2-[(2-phenoxyethyl)sulf…

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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) 3.25 7.53 -7.46 0 4 0 49 325.437 5 ↓

Analogs

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Popular Name: BRD-K69738578-001-01-8 BRD-K69738578-001-01-8

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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) 3.53 7.89 -17.07 1 7 0 87 480.615 7 ↓

Analogs

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Popular Name: 2-[[3-cyano-6-methyl-4-(2-thienyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]-N-(2,6-difluorophe 2-[[3-cyano-6-methyl-4-(2-thieny…

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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) 4.11 8.98 -17.05 1 5 0 69 456.543 5 ↓

Analogs

19852711
19852711

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Popular Name: 2-[(3-cyano-6-ethyl-5,6,7,8-tetrahydro[1,6]naphthyridin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide 2-[(3-cyano-6-ethyl-5,6,7,8-tetr…

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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) 2.81 6.28 -14.16 1 6 0 78 382.489 6 ↓

Analogs

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Popular Name: 6-methyl-2-{[2-(trifluoromethyl)benzyl]sulfanyl}-5,6,7,8-tetrahydro[1,6]naphthyridine-3-carbonitrile 6-methyl-2-{[2-(trifluoromethyl)…

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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) 4.01 8.79 -8.67 0 3 0 40 363.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile 2-amino-6-methyl-5,6,7,8-tetrahy…

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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) 0.46 1.76 -5.21 2 4 0 66 188.234 0 ↓
Mid Mid (pH 6-8) 0.46 4.17 -45.36 3 4 1 67 189.242 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (4-amino-1,2,5-oxadiazol-3-yl)-(…

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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) 0.29 2.54 -7.56 2 7 0 98 245.242 1 ↓
Lo Low (pH 4.5-6) 0.29 2.94 -38 3 7 1 99 246.25 1 ↓

Analogs

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Popular Name: (2R)-3-chloro-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methyl-propan-1-one (2R)-3-chloro-1-(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) 1.62 5.86 -8.91 0 3 0 33 238.718 2 ↓
Lo Low (pH 4.5-6) 1.62 6.26 -38.57 1 3 1 34 239.726 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-chloro-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methyl-propan-1-one (2S)-3-chloro-1-(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) 1.62 5.7 -9.11 0 3 0 33 238.718 2 ↓
Lo Low (pH 4.5-6) 1.62 6.1 -38.57 1 3 1 34 239.726 2 ↓

Analogs

43604463
43604463

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Popular Name: 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-(ethylamino)propan-1-one 1-(7,8-dihydro-5H-1,6-naphthyrid…

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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) 0.35 4.88 -49.3 2 4 1 50 234.323 4 ↓
Lo Low (pH 4.5-6) 0.35 5.28 -90.89 3 4 2 51 235.331 4 ↓

Analogs

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Popular Name: 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(ethylamino)-2-methyl-propan-1-one 1-(7,8-dihydro-5H-1,6-naphthyrid…

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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) 1.24 4.65 -38.95 2 4 1 50 248.35 3 ↓
Hi High (pH 8-9.5) 1.24 4.73 -8.2 1 4 0 45 247.342 3 ↓
Lo Low (pH 4.5-6) 1.24 5.05 -83.48 3 4 2 51 249.358 3 ↓

Analogs

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Popular Name: 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methyl-2-(methylamino)propan-1-one 1-(7,8-dihydro-5H-1,6-naphthyrid…

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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) 0.86 3.83 -40.07 2 4 1 50 234.323 2 ↓
Hi High (pH 8-9.5) 0.86 4 -8.61 1 4 0 45 233.315 2 ↓
Lo Low (pH 4.5-6) 0.86 4.22 -83.91 3 4 2 51 235.331 2 ↓

Analogs

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Popular Name: (2S)-2-bromo-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)butan-1-one (2S)-2-bromo-1-(7,8-dihydro-5H-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) 1.87 6.04 -9.82 0 3 0 33 283.169 2 ↓
Lo Low (pH 4.5-6) 1.87 6.43 -38.67 1 3 1 34 284.177 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-bromo-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)butan-1-one (2R)-2-bromo-1-(7,8-dihydro-5H-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) 1.87 6.04 -8.93 0 3 0 33 283.169 2 ↓
Lo Low (pH 4.5-6) 1.87 6.43 -39.46 1 3 1 34 284.177 2 ↓

Analogs

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Popular Name: 7,8-dihydro-5H-1,6-naphthyridin-6-yl(thiazol-4-yl)methanone 7,8-dihydro-5H-1,6-naphthyridin-…

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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) 1.15 4.62 -12.01 0 4 0 46 245.307 1 ↓
Lo Low (pH 4.5-6) 1.15 5.02 -37.29 1 4 1 47 246.315 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7,8-dihydro-5H-1,6-naphthyridin-6-yl-[2-(ethylamino)phenyl]methanone 7,8-dihydro-5H-1,6-naphthyridin-…

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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) 1.70 6.57 -10.04 1 4 0 45 281.359 3 ↓
Lo Low (pH 4.5-6) 1.70 6.97 -37.58 2 4 1 46 282.367 3 ↓

Analogs

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Popular Name: (2-amino-4-fluoro-phenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (2-amino-4-fluoro-phenyl)-(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) 1.09 4.91 -9.51 2 4 0 59 271.295 1 ↓
Lo Low (pH 4.5-6) 1.09 5.3 -38.57 3 4 1 60 272.303 1 ↓

Analogs

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Popular Name: (2-amino-4-chloro-phenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (2-amino-4-chloro-phenyl)-(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) 1.60 5.36 -9.11 2 4 0 59 287.75 1 ↓
Lo Low (pH 4.5-6) 1.60 5.75 -38.08 3 4 1 60 288.758 1 ↓

Analogs

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Popular Name: 2-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonylamino)thiophene-3-carboxylic 2-(7,8-dihydro-5H-1,6-naphthyrid…

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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) 1.58 6.42 -50.9 1 6 -1 85 302.335 2 ↓
Lo Low (pH 4.5-6) 1.58 6.82 -66.41 2 6 0 87 303.343 2 ↓

Analogs

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Popular Name: 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(4-methyl-4-piperidyl)methanone 7,8-dihydro-5H-1,6-naphthyridin-…

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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) 0.72 4.78 -43.03 2 4 1 50 260.361 1 ↓
Lo Low (pH 4.5-6) 0.72 5.18 -89.44 3 4 2 51 261.369 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(4-ethyl-4-piperidyl)methanone 7,8-dihydro-5H-1,6-naphthyridin-…

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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) 1.06 5.3 -49.5 2 4 1 50 274.388 2 ↓
Lo Low (pH 4.5-6) 1.06 5.7 -88.27 3 4 2 51 275.396 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(4-propyl-4-piperidyl)methanone 7,8-dihydro-5H-1,6-naphthyridin-…

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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 6.07 -49.78 2 4 1 50 288.415 3 ↓
Lo Low (pH 4.5-6) 1.62 6.46 -88.67 3 4 2 51 289.423 3 ↓

Analogs

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Popular Name: 7,8-dihydro-5H-1,6-naphthyridin-6-yl-[(3S)-3-ethyl-3-piperidyl]methanone 7,8-dihydro-5H-1,6-naphthyridin-…

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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) 1.06 5.36 -53.36 2 4 1 50 274.388 2 ↓
Lo Low (pH 4.5-6) 1.06 5.76 -96.62 3 4 2 51 275.396 2 ↓

Analogs

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Popular Name: 7,8-dihydro-5H-1,6-naphthyridin-6-yl-[(3R)-3-ethyl-3-piperidyl]methanone 7,8-dihydro-5H-1,6-naphthyridin-…

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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) 1.06 5.42 -44.71 2 4 1 50 274.388 2 ↓
Lo Low (pH 4.5-6) 1.06 5.8 -96.33 3 4 2 51 275.396 2 ↓

Analogs

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Popular Name: 7,8-dihydro-5H-1,6-naphthyridin-6-yl-[(3S)-3-methyl-3-piperidyl]methanone 7,8-dihydro-5H-1,6-naphthyridin-…

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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) 0.72 5.03 -38.05 2 4 1 50 260.361 1 ↓
Lo Low (pH 4.5-6) 0.72 5.42 -80.83 3 4 2 51 261.369 1 ↓

Analogs

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Popular Name: 7,8-dihydro-5H-1,6-naphthyridin-6-yl-[(3R)-3-methyl-3-piperidyl]methanone 7,8-dihydro-5H-1,6-naphthyridin-…

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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) 0.72 4.84 -43.51 2 4 1 50 260.361 1 ↓
Lo Low (pH 4.5-6) 0.72 5.24 -97.11 3 4 2 51 261.369 1 ↓

Analogs

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Popular Name: 7,8-dihydro-5H-1,6-naphthyridin-6-yl-[(3S)-3-propyl-3-piperidyl]methanone 7,8-dihydro-5H-1,6-naphthyridin-…

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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 6.12 -53.68 2 4 1 50 288.415 3 ↓
Lo Low (pH 4.5-6) 1.62 6.52 -97.17 3 4 2 51 289.423 3 ↓

Analogs

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Popular Name: 7,8-dihydro-5H-1,6-naphthyridin-6-yl-[(3R)-3-propyl-3-piperidyl]methanone 7,8-dihydro-5H-1,6-naphthyridin-…

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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 6.18 -44.93 2 4 1 50 288.415 3 ↓
Lo Low (pH 4.5-6) 1.62 6.57 -96.96 3 4 2 51 289.423 3 ↓

Analogs

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Popular Name: 7,8-dihydro-5H-1,6-naphthyridin-6-yl-[(3S)-3-methylpyrrolidin-3-yl]methanone 7,8-dihydro-5H-1,6-naphthyridin-…

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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) 0.80 4.24 -46.04 2 4 1 50 246.334 1 ↓
Lo Low (pH 4.5-6) 0.80 4.64 -88.56 3 4 2 51 247.342 1 ↓

Analogs

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Popular Name: 7,8-dihydro-5H-1,6-naphthyridin-6-yl-[(3R)-3-methylpyrrolidin-3-yl]methanone 7,8-dihydro-5H-1,6-naphthyridin-…

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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) 0.80 4.24 -49.59 2 4 1 50 246.334 1 ↓
Lo Low (pH 4.5-6) 0.80 4.64 -97.74 3 4 2 51 247.342 1 ↓

Analogs

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Popular Name: 7,8-dihydro-5H-1,6-naphthyridin-6-yl-[(3S)-3-ethylpyrrolidin-3-yl]methanone 7,8-dihydro-5H-1,6-naphthyridin-…

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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) 1.14 4.78 -55.97 2 4 1 50 260.361 2 ↓
Lo Low (pH 4.5-6) 1.14 5.18 -96.94 3 4 2 51 261.369 2 ↓

Analogs

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Popular Name: 7,8-dihydro-5H-1,6-naphthyridin-6-yl-[(3R)-3-ethylpyrrolidin-3-yl]methanone 7,8-dihydro-5H-1,6-naphthyridin-…

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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) 1.14 4.74 -48.68 2 4 1 50 260.361 2 ↓
Lo Low (pH 4.5-6) 1.14 5.14 -95.94 3 4 2 51 261.369 2 ↓

Analogs

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Popular Name: 7,8-dihydro-5H-1,6-naphthyridin-6-yl-[(3S)-3-propylpyrrolidin-3-yl]methanone 7,8-dihydro-5H-1,6-naphthyridin-…

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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) 1.70 5.54 -56.35 2 4 1 50 274.388 3 ↓
Lo Low (pH 4.5-6) 1.70 5.94 -97.46 3 4 2 51 275.396 3 ↓

Analogs

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Popular Name: 7,8-dihydro-5H-1,6-naphthyridin-6-yl-[(3R)-3-propylpyrrolidin-3-yl]methanone 7,8-dihydro-5H-1,6-naphthyridin-…

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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) 1.70 5.51 -48.96 2 4 1 50 274.388 3 ↓
Lo Low (pH 4.5-6) 1.70 5.91 -96.61 3 4 2 51 275.396 3 ↓

Analogs

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Popular Name: (4-amino-3-fluoro-phenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (4-amino-3-fluoro-phenyl)-(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) 1.09 4.68 -14.23 2 4 0 59 271.295 1 ↓
Lo Low (pH 4.5-6) 1.09 5.08 -42.69 3 4 1 60 272.303 1 ↓

Analogs

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Popular Name: 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(3,4,5-trifluorophenyl)methanone 7,8-dihydro-5H-1,6-naphthyridin-…

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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 6.89 -10.17 0 3 0 33 292.26 1 ↓
Lo Low (pH 4.5-6) 1.86 7.29 -41.5 1 3 1 34 293.268 1 ↓

Analogs

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Popular Name: (3aS,5S,6S,6aR)-5-[(1S)-2-[(E)-[3-(2,3-diphenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-1-methyl-propy (3aS,5S,6S,6aR)-5-[(1S)-2-[(E)-[…

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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) 5.19 9.31 -58.02 3 9 1 107 574.698 9 ↓
Mid Mid (pH 6-8) 5.19 7.02 -15.27 2 9 0 106 573.69 9 ↓

Analogs

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Popular Name: 4-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-4-methyl-pentan-1-one 4-amino-1-(7,8-dihydro-5H-1,6-na…

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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) 1.03 4.16 -56.43 3 4 1 61 248.35 3 ↓
Lo Low (pH 4.5-6) 1.03 4.32 -87.77 4 4 2 62 249.358 3 ↓

Analogs

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Popular Name: 2-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-oxo-ethoxy]acetic 2-[2-(7,8-dihydro-5H-1,6-naphthy…

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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) -0.50 5.56 -58.5 0 6 -1 83 249.246 4 ↓
Lo Low (pH 4.5-6) -0.50 5.96 -77.52 1 6 0 84 250.254 4 ↓

Analogs

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Popular Name: 5-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)pentan-1-one 5-amino-1-(7,8-dihydro-5H-1,6-na…

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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) 0.12 3.74 -53.02 3 4 1 61 234.323 4 ↓
Lo Low (pH 4.5-6) 0.12 4.14 -91.05 4 4 2 62 235.331 4 ↓

Analogs

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Popular Name: (4S)-4-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)pentan-1-one (4S)-4-amino-1-(7,8-dihydro-5H-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) 0.02 3.69 -56.59 3 4 1 61 234.323 3 ↓
Lo Low (pH 4.5-6) 0.02 4.09 -99.57 4 4 2 62 235.331 3 ↓

Analogs

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Popular Name: (4R)-4-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)pentan-1-one (4R)-4-amino-1-(7,8-dihydro-5H-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) 0.02 3.68 -57.76 3 4 1 61 234.323 3 ↓
Lo Low (pH 4.5-6) 0.02 4.08 -98.14 4 4 2 62 235.331 3 ↓

Analogs

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Popular Name: 7,8-dihydro-5H-1,6-naphthyridin-6-yl-[2-(methylamino)phenyl]methanone 7,8-dihydro-5H-1,6-naphthyridin-…

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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) 1.32 5.75 -10.16 1 4 0 45 267.332 2 ↓
Lo Low (pH 4.5-6) 1.32 6.15 -37.81 2 4 1 46 268.34 2 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 4639 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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