UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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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) 0.28 1.54 -21.68 1 6 0 81 262.265 3 ↓

Analogs

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Popular Name: 6-[2-[(2-butyl-6-methyl-pyrimidin-4-yl)amino]ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[2-[(2-butyl-6-methyl-pyrimidi…

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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) 1.30 7.87 -54.41 3 8 1 118 379.444 7 ↓
Mid Mid (pH 6-8) 2.21 5.38 -51.48 1 8 -1 120 377.428 7 ↓
Mid Mid (pH 6-8) 1.30 7.36 -27.59 2 8 0 116 378.436 7 ↓

Analogs

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Popular Name: 6-[3-(3,4-diethoxyphenyl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[3-(3,4-diethoxyphenyl)propyl]…

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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) 2.18 9.35 -29.06 1 7 0 97 393.443 8 ↓
Mid Mid (pH 6-8) 3.09 7.36 -55.15 0 7 -1 100 392.435 8 ↓

Analogs

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Popular Name: 6-[2-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[2-(1-ethyl-3,5-dimethyl-pyraz…

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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 7.1 -25.43 1 7 0 96 337.383 4 ↓
Mid Mid (pH 6-8) 1.37 5.12 -50.89 0 7 -1 100 336.375 4 ↓
Lo Low (pH 4.5-6) 0.46 7.23 -55.48 2 7 1 98 338.391 4 ↓

Analogs

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Popular Name: 6-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[(3-tert-butyl-1H-pyrazol-5-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) 1.62 5.59 -26.8 2 7 0 107 323.356 3 ↓
Mid Mid (pH 6-8) 2.53 3.6 -54.07 1 7 -1 110 322.348 3 ↓

Analogs

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Popular Name: 6-[[(3S)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[[(3S)-1-(3-methoxypropyl)pyrr…

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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) 0.25 6.42 -68.42 2 7 1 92 343.407 6 ↓
Mid Mid (pH 6-8) 1.15 4.43 -80.94 1 7 0 95 342.399 6 ↓

Analogs

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Popular Name: 6-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[[(3R)-1-(3-methoxypropyl)pyrr…

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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) 0.25 6.59 -64.82 2 7 1 92 343.407 6 ↓
Mid Mid (pH 6-8) 1.15 4.58 -78.65 1 7 0 95 342.399 6 ↓

Analogs

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Popular Name: 6-[3-[(3S)-3-hydroxy-1-piperidyl]propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[3-[(3S)-3-hydroxy-1-piperidyl…

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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) -0.48 4.32 -65.21 3 7 1 103 329.38 4 ↓
Mid Mid (pH 6-8) 0.42 2.35 -76.62 2 7 0 106 328.372 4 ↓

Analogs

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Popular Name: 6-[3-[(3R)-3-hydroxy-1-piperidyl]propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[3-[(3R)-3-hydroxy-1-piperidyl…

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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) -0.48 4.32 -64.73 3 7 1 103 329.38 4 ↓
Mid Mid (pH 6-8) 0.42 2.35 -76.46 2 7 0 106 328.372 4 ↓

Analogs

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Popular Name: 6-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[3-(3,5-dimethyl-1H-pyrazol-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) 0.54 5.8 -28.81 2 7 0 107 323.356 4 ↓
Mid Mid (pH 6-8) 1.44 3.83 -55.04 1 7 -1 110 322.348 4 ↓

Analogs

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Popular Name: 2,5-dioxo-6-(3-propoxypropyl)-1H-1,6-naphthyridine-3-carbonitrile 2,5-dioxo-6-(3-propoxypropyl)-1H…

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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) 0.60 5.34 -23.42 1 6 0 88 287.319 6 ↓
Mid Mid (pH 6-8) 1.50 3.36 -50.23 0 6 -1 91 286.311 6 ↓

Analogs

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Popular Name: 6-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[2-[(2R)-1-methylpyrrolidin-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) 0.15 6.95 -66.84 2 6 1 83 299.354 3 ↓
Mid Mid (pH 6-8) 1.06 4.96 -78.7 1 6 0 86 298.346 3 ↓

Analogs

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Popular Name: 6-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[2-[(2S)-1-methylpyrrolidin-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) 0.15 6.47 -59.52 2 6 1 83 299.354 3 ↓
Mid Mid (pH 6-8) 1.06 4.49 -72.09 1 6 0 86 298.346 3 ↓

Analogs

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Popular Name: 6-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[2-(3-benzyl-1,2,4-oxadiazol-5…

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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 6.57 -27.89 1 8 0 118 373.372 5 ↓
Mid Mid (pH 6-8) 2.23 4.58 -51.91 0 8 -1 121 372.364 5 ↓

Analogs

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Popular Name: 6-[3-(N-methylanilino)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[3-(N-methylanilino)propyl]-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) 1.46 8.21 -25.88 1 6 0 82 334.379 5 ↓
Mid Mid (pH 6-8) 2.36 6.23 -52.56 0 6 -1 85 333.371 5 ↓
Lo Low (pH 4.5-6) 1.46 8.64 -65.79 2 6 0 83 335.387 5 ↓

Analogs

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Popular Name: 6-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[2-[(3R)-1-benzylpyrrolidin-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) 1.66 10.45 -62.32 2 6 1 83 375.452 5 ↓
Mid Mid (pH 6-8) 2.57 8.46 -76.44 1 6 0 86 374.444 5 ↓

Analogs

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Popular Name: 6-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[2-[(3S)-1-benzylpyrrolidin-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) 1.66 10.35 -63.83 2 6 1 83 375.452 5 ↓
Mid Mid (pH 6-8) 2.57 8.36 -77.26 1 6 0 86 374.444 5 ↓

Analogs

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Popular Name: 6-[(2S)-2-morpholinobutyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[(2S)-2-morpholinobutyl]-2,5-d…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.20 3.69 -21.05 1 7 0 91 328.372 4 ↓
Mid Mid (pH 6-8) 1.11 3.43 -69.59 1 7 0 95 328.372 4 ↓
Mid Mid (pH 6-8) 1.11 1.72 -48.37 0 7 -1 94 327.364 4 ↓

Analogs

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Popular Name: 6-[(2R)-2-morpholinobutyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[(2R)-2-morpholinobutyl]-2,5-d…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.20 3.75 -23.34 1 7 0 91 328.372 4 ↓
Mid Mid (pH 6-8) 1.11 3.37 -74.39 1 7 0 95 328.372 4 ↓
Mid Mid (pH 6-8) 1.11 1.81 -51.34 0 7 -1 94 327.364 4 ↓

Analogs

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Popular Name: 6-[[(3S)-1-(o-tolylmethyl)pyrrolidin-3-yl]methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[[(3S)-1-(o-tolylmethyl)pyrrol…

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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) 1.79 10.24 -67.77 2 6 1 83 375.452 4 ↓
Mid Mid (pH 6-8) 2.70 8.25 -79.25 1 6 0 86 374.444 4 ↓

Analogs

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Popular Name: 6-[[(3R)-1-(o-tolylmethyl)pyrrolidin-3-yl]methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[[(3R)-1-(o-tolylmethyl)pyrrol…

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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) 1.79 10.27 -66.19 2 6 1 83 375.452 4 ↓
Mid Mid (pH 6-8) 2.70 8.28 -78.55 1 6 0 86 374.444 4 ↓

Analogs

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Popular Name: 2,5-dioxo-6-[2-(1H-triazol-5-ylsulfanyl)ethyl]-1H-1,6-naphthyridine-3-carbonitrile 2,5-dioxo-6-[2-(1H-triazol-5-yls…

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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) -0.34 3.04 -25.61 2 8 0 120 314.33 4 ↓
Hi High (pH 8-9.5) 0.56 1.06 -91.89 0 8 -2 122 312.314 4 ↓
Mid Mid (pH 6-8) 0.56 1.07 -51.46 1 8 -1 123 313.322 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) 0.33 5.63 -23.61 1 8 0 108 342.355 3 ↓
Mid Mid (pH 6-8) 1.24 3.65 -48.89 0 8 -1 111 341.347 3 ↓

Analogs

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Popular Name: 6-(2-diethylaminoethyl)-2,5-dioxo-1H-1,6-naphthyridine-3-carboxylic 6-(2-diethylaminoethyl)-2,5-diox…

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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) 0.06 7.5 -107.56 2 7 0 99 305.334 6 ↓
Hi High (pH 8-9.5) 0.06 5.35 -77.85 1 7 -1 98 304.326 6 ↓

Analogs

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Popular Name: 6-[3-(4-ethoxyphenyl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[3-(4-ethoxyphenyl)propyl]-2,5…

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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 8.53 -26.16 1 6 0 88 349.39 6 ↓
Mid Mid (pH 6-8) 3.12 6.55 -52.5 0 6 -1 91 348.382 6 ↓

Analogs

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Popular Name: 6-[(1S)-1-[(4-chlorophenyl)methyl]-2-hydroxy-ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[(1S)-1-[(4-chlorophenyl)methy…

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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) 1.30 5.68 -22.23 2 6 0 99 355.781 4 ↓
Mid Mid (pH 6-8) 2.20 3.72 -50.44 1 6 -1 102 354.773 4 ↓

Analogs

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Popular Name: 6-[(1R)-1-[(4-chlorophenyl)methyl]-2-hydroxy-ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[(1R)-1-[(4-chlorophenyl)methy…

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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) 1.30 5.7 -22.26 2 6 0 99 355.781 4 ↓
Mid Mid (pH 6-8) 2.20 3.73 -50.49 1 6 -1 102 354.773 4 ↓

Analogs

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Popular Name: 6-[(2S)-2-methoxybutyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[(2S)-2-methoxybutyl]-2,5-diox…

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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) 0.31 4.29 -18.54 1 6 0 88 273.292 4 ↓
Mid Mid (pH 6-8) 1.22 2.33 -45.74 0 6 -1 91 272.284 4 ↓

Analogs

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Popular Name: 6-[(2R)-2-methoxybutyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[(2R)-2-methoxybutyl]-2,5-diox…

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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) 0.31 4.81 -24.48 1 6 0 88 273.292 4 ↓
Mid Mid (pH 6-8) 1.22 2.87 -51.49 0 6 -1 91 272.284 4 ↓

Analogs

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Popular Name: 2,5-dioxo-6-[2-[(2S)-tetrahydropyran-2-yl]ethyl]-1H-1,6-naphthyridine-3-carbonitrile 2,5-dioxo-6-[2-[(2S)-tetrahydrop…

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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) 0.61 5.64 -19.55 1 6 0 88 299.33 3 ↓
Mid Mid (pH 6-8) 1.52 3.67 -46.44 0 6 -1 91 298.322 3 ↓

Analogs

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Popular Name: 2,5-dioxo-6-[2-[(2R)-tetrahydropyran-2-yl]ethyl]-1H-1,6-naphthyridine-3-carbonitrile 2,5-dioxo-6-[2-[(2R)-tetrahydrop…

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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) 0.61 5.64 -24.64 1 6 0 88 299.33 3 ↓
Mid Mid (pH 6-8) 1.52 3.67 -51.35 0 6 -1 91 298.322 3 ↓

Analogs

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Popular Name: 6-[4-(azepan-1-yl)butyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[4-(azepan-1-yl)butyl]-2,5-dio…

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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) 1.45 9.04 -60.96 2 6 1 83 341.435 5 ↓
Mid Mid (pH 6-8) 2.35 7.05 -74.79 1 6 0 86 340.427 5 ↓

Analogs

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Popular Name: 6-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3 6-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-…

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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) 1.43 9.05 -54.64 2 6 1 83 353.446 3 ↓
Mid Mid (pH 6-8) 2.34 7.07 -68.17 1 6 0 86 352.438 3 ↓

Analogs

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Popular Name: 2,5-dioxo-6-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-1,6-naphthyridine-3-carbonitrile 2,5-dioxo-6-[2-(1-phenylpyrazol-…

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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) 0.92 8.72 -27.17 1 7 0 96 357.373 4 ↓
Mid Mid (pH 6-8) 1.82 6.72 -52.77 0 7 -1 100 356.365 4 ↓

Analogs

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Popular Name: 2,5-dioxo-6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1H-1,6-naphthyridine-3-carbonitrile 2,5-dioxo-6-[3-([1,2,4]triazolo[…

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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) 0.47 8.61 -41.05 1 8 0 109 346.35 4 ↓
Mid Mid (pH 6-8) 1.38 6.64 -66.79 0 8 -1 112 345.342 4 ↓

Analogs

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Popular Name: 6-[(2S)-2-hydroxy-3-phenyl-propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[(2S)-2-hydroxy-3-phenyl-propy…

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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) 0.62 5.01 -26.22 2 6 0 99 321.336 4 ↓
Mid Mid (pH 6-8) 1.53 3.05 -53.86 1 6 -1 102 320.328 4 ↓

Analogs

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Popular Name: 6-[(2R)-2-hydroxy-3-phenyl-propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[(2R)-2-hydroxy-3-phenyl-propy…

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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) 0.62 5.72 -24.83 2 6 0 99 321.336 4 ↓
Mid Mid (pH 6-8) 1.53 3.78 -52.33 1 6 -1 102 320.328 4 ↓

Analogs

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Popular Name: 6-[(2R)-4-oxaspiro[4.4]nonan-2-yl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[(2R)-4-oxaspiro[4.4]nonan-2-y…

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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) 1.04 5.43 -18.25 1 6 0 88 311.341 1 ↓
Mid Mid (pH 6-8) 1.94 3.46 -44 0 6 -1 91 310.333 1 ↓

Analogs

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Popular Name: 6-[(2S)-4-oxaspiro[4.4]nonan-2-yl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[(2S)-4-oxaspiro[4.4]nonan-2-y…

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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) 1.04 5.41 -19.85 1 6 0 88 311.341 1 ↓
Mid Mid (pH 6-8) 1.94 3.44 -44.57 0 6 -1 91 310.333 1 ↓

Analogs

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Popular Name: 6-[2-(3-methyl-2-thienyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[2-(3-methyl-2-thienyl)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) 1.54 7.21 -21.65 1 5 0 79 311.366 3 ↓
Mid Mid (pH 6-8) 2.45 5.23 -47.7 0 5 -1 82 310.358 3 ↓

Analogs

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Popular Name: 2,5-dioxo-6-pentyl-1H-1,6-naphthyridine-3-carbonitrile 2,5-dioxo-6-pentyl-1H-1,6-naphth…

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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) 1.40 6.06 -21.66 1 5 0 79 257.293 4 ↓
Mid Mid (pH 6-8) 2.31 4.08 -48.31 0 5 -1 82 256.285 4 ↓

Analogs

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Popular Name: 6-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carboxylic 6-[2-[(2R)-1-methylpyrrolidin-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) -0.03 8.06 -113.42 2 7 0 99 317.345 4 ↓

Analogs

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Popular Name: 6-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carboxylic 6-[2-[(2S)-1-methylpyrrolidin-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) -0.03 7.57 -104.06 2 7 0 99 317.345 4 ↓

Analogs

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Popular Name: 2,5-dioxo-6-(4-pyrrolidin-1-ylbutyl)-1H-1,6-naphthyridine-3-carbonitrile 2,5-dioxo-6-(4-pyrrolidin-1-ylbu…

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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) 0.44 7.77 -59.55 2 6 1 83 313.381 5 ↓

Parameters Provided:

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