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

3840269
3840269
3840268
3840268

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Popular Name: 3-[(8aS)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl]benzonitrile 3-[(8aS)-1,3-dioxo-6,7,8,8a-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) 1.74 7.12 -10.27 0 5 0 64 255.277 1 ↓

Analogs

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Popular Name: 3-[(8aR)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl]benzonitrile 3-[(8aR)-1,3-dioxo-6,7,8,8a-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) 1.74 7.12 -10.24 0 5 0 64 255.277 1 ↓

Analogs

3838454
3838454
3840260
3840260

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(8aS)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl]benzonitrile 4-[(8aS)-1,3-dioxo-6,7,8,8a-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) 1.77 7.13 -9.21 0 5 0 64 255.277 1 ↓

Analogs

3838454
3838454
3840260
3840260

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(8aR)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl]benzonitrile 4-[(8aR)-1,3-dioxo-6,7,8,8a-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) 1.77 7.14 -9.18 0 5 0 64 255.277 1 ↓

Analogs

40556418
40556418
52584297
52584297
52584304
52584304
2183633
2183633

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Popular Name: (8aS)-2-(2-methoxyphenyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (8aS)-2-(2-methoxyphenyl)-6,7,8,…

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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) 2.02 6.29 -14.18 0 5 0 50 260.293 2 ↓

Analogs

40556418
40556418
52584297
52584297
52584304
52584304
2183633
2183633

Draw Identity 99% 90% 80% 70%

Popular Name: (8aR)-2-(2-methoxyphenyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (8aR)-2-(2-methoxyphenyl)-6,7,8,…

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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) 2.02 6.28 -13.92 0 5 0 50 260.293 2 ↓

Analogs

1587436
1587436

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Popular Name: (8aS)-2-(1-naphthyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (8aS)-2-(1-naphthyl)-6,7,8,8a-te…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.17 9.56 -13.89 0 4 0 41 280.327 1 ↓

Analogs

1587436
1587436

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Popular Name: (8aR)-2-(1-naphthyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (8aR)-2-(1-naphthyl)-6,7,8,8a-te…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.17 9.55 -13.76 0 4 0 41 280.327 1 ↓

Analogs

7814923
7814923

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Popular Name: (8aS)-2-tert-butyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (8aS)-2-tert-butyl-6,7,8,8a-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) 1.50 5.41 -7.15 0 4 0 41 210.277 1 ↓

Analogs

7814923
7814923

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Popular Name: (8aR)-2-tert-butyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (8aR)-2-tert-butyl-6,7,8,8a-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) 1.50 5.4 -7.15 0 4 0 41 210.277 1 ↓

Analogs

29464883
29464883

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Popular Name: (8aS)-2-(1-adamantyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (8aS)-2-(1-adamantyl)-6,7,8,8a-t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.24 8.45 -7.27 0 4 0 41 288.391 1 ↓

Analogs

29464883
29464883

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Popular Name: (8aR)-2-(1-adamantyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (8aR)-2-(1-adamantyl)-6,7,8,8a-t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.24 8.45 -7.24 0 4 0 41 288.391 1 ↓

Analogs

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Popular Name: (8aS)-2-[(2S)-2-(2-fluorophenyl)-2-hydroxy-ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3- (8aS)-2-[(2S)-2-(2-fluorophenyl)…

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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 5.07 -11.75 1 5 0 61 292.31 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8aS)-2-[(2R)-2-(2-fluorophenyl)-2-hydroxy-ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3- (8aS)-2-[(2R)-2-(2-fluorophenyl)…

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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 5.14 -10.3 1 5 0 61 292.31 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8aR)-2-[(2S)-2-(2-fluorophenyl)-2-hydroxy-ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3- (8aR)-2-[(2S)-2-(2-fluorophenyl)…

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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 5.09 -11.98 1 5 0 61 292.31 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8aR)-2-[(2R)-2-(2-fluorophenyl)-2-hydroxy-ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3- (8aR)-2-[(2R)-2-(2-fluorophenyl)…

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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 5.04 -10.72 1 5 0 61 292.31 3 ↓

Analogs

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Popular Name: (8aS)-2-[(2R)-3-(2,4-dimethylphenoxy)-2-hydroxy-propyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin (8aS)-2-[(2R)-3-(2,4-dimethylphe…

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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 6.04 -11.73 1 6 0 70 332.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8aS)-2-[(2S)-3-(2,4-dimethylphenoxy)-2-hydroxy-propyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin (8aS)-2-[(2S)-3-(2,4-dimethylphe…

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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 6.22 -11.23 1 6 0 70 332.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8aR)-2-[(2R)-3-(2,4-dimethylphenoxy)-2-hydroxy-propyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin (8aR)-2-[(2R)-3-(2,4-dimethylphe…

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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 6.06 -12.08 1 6 0 70 332.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8aR)-2-[(2S)-3-(2,4-dimethylphenoxy)-2-hydroxy-propyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin (8aR)-2-[(2S)-3-(2,4-dimethylphe…

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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 6.03 -11.65 1 6 0 70 332.4 5 ↓

Analogs

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Popular Name: (8aS)-2-[(2S)-2-hydroxy-2-phenyl-ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (8aS)-2-[(2S)-2-hydroxy-2-phenyl…

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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) 1.13 4.97 -9.26 1 5 0 61 274.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8aS)-2-[(2R)-2-hydroxy-2-phenyl-ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (8aS)-2-[(2R)-2-hydroxy-2-phenyl…

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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) 1.13 5.07 -8.68 1 5 0 61 274.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8aR)-2-[(2S)-2-hydroxy-2-phenyl-ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (8aR)-2-[(2S)-2-hydroxy-2-phenyl…

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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) 1.13 4.98 -9.5 1 5 0 61 274.32 3 ↓

Analogs

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Popular Name: (8aR)-2-[(2R)-2-hydroxy-2-phenyl-ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (8aR)-2-[(2R)-2-hydroxy-2-phenyl…

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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) 1.13 4.98 -9.02 1 5 0 61 274.32 3 ↓

Analogs

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Popular Name: (8aS)-2-[6-(diethylamino)-3-pyridyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (8aS)-2-[6-(diethylamino)-3-pyri…

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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) 2.14 8.43 -10.09 0 6 0 57 302.378 4 ↓
Lo Low (pH 4.5-6) 2.14 7.98 -24.73 1 6 0 58 303.386 4 ↓
Lo Low (pH 4.5-6) 2.14 8.81 -25.38 1 6 1 58 303.386 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8aR)-2-[6-(diethylamino)-3-pyridyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (8aR)-2-[6-(diethylamino)-3-pyri…

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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) 2.14 8.42 -10.12 0 6 0 57 302.378 4 ↓
Lo Low (pH 4.5-6) 2.14 7.98 -24.75 1 6 0 58 303.386 4 ↓
Lo Low (pH 4.5-6) 2.14 8.81 -25.4 1 6 1 58 303.386 4 ↓

Analogs

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Popular Name: 2-[4-[(2R)-3-[(8aS)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl]-2-hydroxy-propoxy]p 2-[4-[(2R)-3-[(8aS)-1,3-dioxo-6,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.32 5.8 -17.44 1 7 0 94 343.383 6 ↓

Analogs

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Popular Name: 2-[4-[(2S)-3-[(8aS)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl]-2-hydroxy-propoxy]p 2-[4-[(2S)-3-[(8aS)-1,3-dioxo-6,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.32 5.98 -17.07 1 7 0 94 343.383 6 ↓

Analogs

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Popular Name: 2-[4-[(2R)-3-[(8aR)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl]-2-hydroxy-propoxy]p 2-[4-[(2R)-3-[(8aR)-1,3-dioxo-6,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.32 5.81 -17.79 1 7 0 94 343.383 6 ↓

Analogs

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Popular Name: 2-[4-[(2S)-3-[(8aR)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl]-2-hydroxy-propoxy]p 2-[4-[(2S)-3-[(8aR)-1,3-dioxo-6,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.32 5.78 -17.47 1 7 0 94 343.383 6 ↓

Parameters Provided:

ring.id = 111495
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 = 111495 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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