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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: [(9aR)-2-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl]-(4-methyl-4-piperidyl)methano [(9aR)-2-methyl-3,4,6,7,9,9a-hex…

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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 3.55 -85.95 3 5 2 45 282.432 1 ↓
Mid Mid (pH 6-8) -0.12 1.12 -41.2 2 5 1 43 281.424 1 ↓

Analogs

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Popular Name: (9aS)-2-(4,6-dimethoxypyrimidin-2-yl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine (9aS)-2-(4,6-dimethoxypyrimidin-…

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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 3.46 -40.02 1 7 1 55 294.379 3 ↓
Mid Mid (pH 6-8) 1.32 1.03 -5.71 0 7 0 54 293.371 3 ↓

Analogs

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Popular Name: (9aS)-2-(5-fluoro-4-pyrrolidin-1-yl-pyrimidin-2-yl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2- (9aS)-2-(5-fluoro-4-pyrrolidin-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) 1.68 8.98 -38.97 1 6 1 40 321.424 2 ↓
Mid Mid (pH 6-8) 1.68 6.55 -6.19 0 6 0 39 320.416 2 ↓
Lo Low (pH 4.5-6) 1.68 9.33 -77.93 2 6 2 41 322.432 2 ↓

Analogs

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Popular Name: 3-[[(9aR)-2-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl]methyl]-N-methyl-pyridin-2- 3-[[(9aR)-2-methyl-3,4,6,7,9,9a-…

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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) 0.42 4.13 -72.93 3 5 2 37 277.416 3 ↓
Hi High (pH 8-9.5) 0.42 1.33 -5.11 1 5 0 35 275.4 3 ↓
Mid Mid (pH 6-8) 0.42 3.75 -38.36 2 5 1 36 276.408 3 ↓

Analogs

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Popular Name: 1-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-imidazol-1-yl-propan-1-on 1-[(9aS)-8-methyl-3,4,6,7,9,9a-h…

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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 6.11 -43.35 1 6 1 46 278.38 3 ↓
Hi High (pH 8-9.5) -0.61 3.68 -10.29 0 6 0 45 277.372 3 ↓
Mid Mid (pH 6-8) -0.61 6.63 -80.4 2 6 2 47 279.388 3 ↓

Analogs

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Popular Name: (9aR)-N-(3-ethylphenyl)-2-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxamide (9aR)-N-(3-ethylphenyl)-2-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) 2.35 6.84 -40.48 2 5 1 40 303.43 2 ↓
Mid Mid (pH 6-8) 2.35 4.4 -8.91 1 5 0 39 302.422 2 ↓

Analogs

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Popular Name: (9aS)-8-methyl-2-(1,6-naphthyridin-5-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine (9aS)-8-methyl-2-(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) 1.15 5.93 -40.1 1 5 1 37 284.387 1 ↓
Hi High (pH 8-9.5) 1.15 3.5 -7.78 0 5 0 35 283.379 1 ↓
Lo Low (pH 4.5-6) 1.15 6.4 -83.51 2 5 2 38 285.395 1 ↓

Analogs

45654799
45654799
45654801
45654801

Draw Identity 99% 90% 80% 70%

Popular Name: (9aS)-2-[(2-methoxy-3-pyridyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine (9aS)-2-[(2-methoxy-3-pyridyl)me…

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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 1.9 -37.23 1 5 1 33 277.392 3 ↓
Hi High (pH 8-9.5) 0.62 -0.52 -6.02 0 5 0 32 276.384 3 ↓
Lo Low (pH 4.5-6) 0.62 4.19 -94.31 2 5 2 34 278.4 3 ↓

Analogs

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Popular Name: (9aS)-2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]p (9aS)-2-[3-chloro-5-(trifluorome…

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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) 2.42 6.92 -35.66 1 4 1 24 335.781 2 ↓
Hi High (pH 8-9.5) 2.42 4.48 -3.37 0 4 0 23 334.773 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(9aR)-2-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl]-2-isopropylsulfanyl-ethanon 1-[(9aR)-2-methyl-3,4,6,7,9,9a-h…

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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) 0.70 5.55 -41.35 1 4 1 28 272.438 3 ↓
Mid Mid (pH 6-8) 0.70 3.13 -9.88 0 4 0 27 271.43 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(9aR)-2-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl]-(2-ethyl-5-isopropyl-pyrazol- [(9aR)-2-methyl-3,4,6,7,9,9a-hex…

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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) 1.49 5.97 -41.97 1 6 1 46 320.461 3 ↓
Mid Mid (pH 6-8) 1.49 3.53 -8.2 0 6 0 45 319.453 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-4-(tetrazol-1-yl)butan-1-on 1-[(9aS)-8-methyl-3,4,6,7,9,9a-h…

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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) -1.02 4.5 -53.37 1 8 1 72 294.383 4 ↓
Mid Mid (pH 6-8) -1.02 4.32 -59.53 1 8 1 72 294.383 4 ↓
Mid Mid (pH 6-8) -1.02 2.07 -22.87 0 8 0 70 293.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9aS)-8-methyl-2-[[1-(3-pyridyl)pyrrol-2-yl]methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin (9aS)-8-methyl-2-[[1-(3-pyridyl)…

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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 5.7 -38.08 1 5 1 29 312.441 3 ↓
Hi High (pH 8-9.5) 1.15 3.29 -6.1 0 5 0 28 311.433 3 ↓
Lo Low (pH 4.5-6) 1.15 7.91 -93.99 2 5 2 30 313.449 3 ↓

Analogs

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Popular Name: 3-phenyl-2-thioxo-1,2,3,5,6,7-hexahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one 3-phenyl-2-thioxo-1,2,3,5,6,7-he…

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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) 0.85 7.14 -86.52 2 6 2 46 334.464 3 ↓
Hi High (pH 8-9.5) 0.85 4.71 -45 1 6 1 44 333.456 3 ↓

Analogs

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Popular Name: 4-[(2-ethoxy-2-oxoethyl)amino]-2-(4-isopropoxyphenyl)-4-oxobutanoic acid 4-[(2-ethoxy-2-oxoethyl)amino]-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) 0.11 1.37 -71.31 1 7 0 77 323.422 2 ↓
Hi High (pH 8-9.5) 0.11 -1.07 -53.76 0 7 -1 76 322.414 2 ↓
Mid Mid (pH 6-8) -0.35 2.86 -49.94 2 7 1 74 324.43 2 ↓

Analogs

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Popular Name: 2-[({4-[(methyloxy)carbonyl]phenyl}amino)carbonyl]cyclohexanecarboxylic acid 2-[({4-[(methyloxy)carbonyl]phen…

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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) 2.26 5.56 -75.5 3 5 2 41 327.904 5 ↓
Hi High (pH 8-9.5) 2.26 2.88 -5.24 1 5 0 38 325.888 5 ↓
Mid Mid (pH 6-8) 2.26 5.15 -39.81 2 5 1 40 326.896 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-methoxy-1-naphthyl)methylene]-2-methyl-3-nitroaniline N-[(4-methoxy-1-naphthyl)methyle…

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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 4.39 -55.55 2 7 1 74 354.434 2 ↓
Hi High (pH 8-9.5) 0.11 0.79 -61.79 0 7 -1 76 352.418 2 ↓
Mid Mid (pH 6-8) -0.35 4.19 -50.67 2 7 1 74 354.434 2 ↓

Analogs

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Popular Name: ethyl 1-{4-nitrophenyl}-2-methyl-1H-pyrido[3,2-b]indole-3-carboxylate ethyl 1-{4-nitrophenyl}-2-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) -0.45 2.96 -45.44 2 8 1 78 345.427 3 ↓
Mid Mid (pH 6-8) -0.45 2.78 -45.37 2 8 1 78 345.427 3 ↓
Mid Mid (pH 6-8) -0.45 0.52 -13.13 1 8 0 77 344.419 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chlorophenyl)-5-(4-nitrophenyl)-3a,6a-dihydrosprio[1H-furo[3,4-c]pyrrole-3,2'-(1'H)-indene]-1',3',4,6(2'H,3H,5H)-tetrone 1-(2-chlorophenyl)-5-(4-nitrophe…

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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) 1.18 5.67 -39.97 2 5 1 40 315.441 4 ↓
Mid Mid (pH 6-8) 1.18 3.26 -8.44 1 5 0 39 314.433 4 ↓
Mid Mid (pH 6-8) 1.18 5.48 -41.92 2 5 1 40 315.441 4 ↓

Analogs

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Popular Name: 2-Boc-Octahydropyrazino[1,2-a]pyrazine 2-Boc-Octahydropyrazino[1,2-a]py…

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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 2.36 -43.09 2 5 1 49 242.343 2 ↓
Hi High (pH 8-9.5) 0.55 1 -5.82 1 5 0 45 241.335 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Boc-Octahydropyrazino[1,2-a]pyrazine 2-Boc-Octahydropyrazino[1,2-a]py…

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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 2.39 -43.13 2 5 1 49 242.343 2 ↓
Hi High (pH 8-9.5) 0.55 1.02 -5.22 1 5 0 45 241.335 2 ↓