UCSF
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Analogs

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Popular Name: (1R,2R)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(5-methyl-2-thienyl)p (1R,2R)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 1.80 6.89 -89.69 4 3 2 35 295.496 3 ↓
Hi High (pH 8-9.5) 1.80 5.31 -41.63 3 3 1 34 294.488 3 ↓
Hi High (pH 8-9.5) 1.80 4.98 -1.92 2 3 0 32 293.48 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(5-methyl-2-thienyl)p (1S,2R)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 1.80 6.44 -98.24 4 3 2 35 295.496 3 ↓
Hi High (pH 8-9.5) 1.80 4.62 -2.84 2 3 0 32 293.48 3 ↓
Hi High (pH 8-9.5) 1.80 5.47 -35.54 3 3 1 34 294.488 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(5-methyl-2-thienyl)p (1R,2S)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 1.80 6.98 -88.47 4 3 2 35 295.496 3 ↓
Hi High (pH 8-9.5) 1.80 5.22 -1.91 2 3 0 32 293.48 3 ↓
Hi High (pH 8-9.5) 1.80 5.51 -41.96 3 3 1 34 294.488 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(5-methyl-2-thienyl)p (1S,2S)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 1.80 6.42 -87.85 4 3 2 35 295.496 3 ↓
Hi High (pH 8-9.5) 1.80 4.84 -40.84 3 3 1 34 294.488 3 ↓
Hi High (pH 8-9.5) 1.80 4.56 -2.66 2 3 0 32 293.48 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(5-methyl-2-thienyl)b (1S,2S)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 2.34 7.29 -87.91 4 3 2 35 309.523 4 ↓
Hi High (pH 8-9.5) 2.34 5.73 -40.37 3 3 1 34 308.515 4 ↓
Hi High (pH 8-9.5) 2.34 5.41 -1.81 2 3 0 32 307.507 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(5-methyl-2-thienyl)b (1S,2R)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 2.34 7.23 -98.76 4 3 2 35 309.523 4 ↓
Hi High (pH 8-9.5) 2.34 5.94 -1.91 2 3 0 32 307.507 4 ↓
Hi High (pH 8-9.5) 2.34 6.28 -42.27 3 3 1 34 308.515 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(5-methyl-2-thienyl)b (1R,2S)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 2.34 7.84 -88.59 4 3 2 35 309.523 4 ↓
Hi High (pH 8-9.5) 2.34 6.01 -1.88 2 3 0 32 307.507 4 ↓
Hi High (pH 8-9.5) 2.34 6.29 -41.39 3 3 1 34 308.515 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(5-methyl-2-thienyl)b (1R,2R)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 2.34 7.71 -89.36 4 3 2 35 309.523 4 ↓
Hi High (pH 8-9.5) 2.34 6.13 -41.2 3 3 1 34 308.515 4 ↓
Hi High (pH 8-9.5) 2.34 5.68 -2.5 2 3 0 32 307.507 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-2-(5-chloro-2-thienyl)etha (2R)-2-[(9aR)-1,3,4,5,7,8,9,9a-o…

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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) 1.98 5.99 -106.13 4 3 2 35 301.887 3 ↓
Hi High (pH 8-9.5) 1.98 4.41 -48.48 3 3 1 34 300.879 3 ↓
Hi High (pH 8-9.5) 1.98 4.05 -1.69 2 3 0 32 299.871 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-2-(5-chloro-2-thienyl)etha (2S)-2-[(9aR)-1,3,4,5,7,8,9,9a-o…

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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) 1.98 5.79 -104.4 4 3 2 35 301.887 3 ↓
Hi High (pH 8-9.5) 1.98 4.13 -2.94 2 3 0 32 299.871 3 ↓
Hi High (pH 8-9.5) 1.98 4.22 -48.94 3 3 1 34 300.879 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(5-chloro-2-thienyl)b (1S,2S)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 2.92 7.08 -93.16 4 3 2 35 329.941 4 ↓
Hi High (pH 8-9.5) 2.92 5.21 -1.77 2 3 0 32 327.925 4 ↓
Hi High (pH 8-9.5) 2.92 5.52 -44.14 3 3 1 34 328.933 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(5-chloro-2-thienyl)b (1S,2R)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 2.92 7.63 -97.27 4 3 2 35 329.941 4 ↓
Hi High (pH 8-9.5) 2.92 6.07 -46.2 3 3 1 34 328.933 4 ↓
Hi High (pH 8-9.5) 2.92 5.12 -1.59 2 3 0 32 327.925 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(5-chloro-2-thienyl)b (1R,2S)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 2.92 7.64 -93.35 4 3 2 35 329.941 4 ↓
Hi High (pH 8-9.5) 2.92 5.76 -1.65 2 3 0 32 327.925 4 ↓
Hi High (pH 8-9.5) 2.92 6.09 -45.46 3 3 1 34 328.933 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(5-chloro-2-thienyl)b (1R,2R)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 2.92 7.51 -94.29 4 3 2 35 329.941 4 ↓
Hi High (pH 8-9.5) 2.92 5.6 -1.31 2 3 0 32 327.925 4 ↓
Hi High (pH 8-9.5) 2.92 5.93 -45.1 3 3 1 34 328.933 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-2-(5-bromo-2-thienyl)ethan (2R)-2-[(9aR)-1,3,4,5,7,8,9,9a-o…

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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) 2.11 6.1 -106.29 4 3 2 35 346.338 3 ↓
Hi High (pH 8-9.5) 2.11 4.16 -1.69 2 3 0 32 344.322 3 ↓
Hi High (pH 8-9.5) 2.11 4.51 -48.5 3 3 1 34 345.33 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-2-(5-bromo-2-thienyl)ethan (2S)-2-[(9aR)-1,3,4,5,7,8,9,9a-o…

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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) 2.11 5.9 -104.58 4 3 2 35 346.338 3 ↓
Hi High (pH 8-9.5) 2.11 4.32 -48.97 3 3 1 34 345.33 3 ↓
Hi High (pH 8-9.5) 2.11 4.23 -2.99 2 3 0 32 344.322 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(4-bromo-2-thienyl)pr (1S,2S)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 2.32 6.21 -91.7 4 3 2 35 360.365 3 ↓
Hi High (pH 8-9.5) 2.32 4.33 -1.52 2 3 0 32 358.349 3 ↓
Hi High (pH 8-9.5) 2.32 4.64 -42.56 3 3 1 34 359.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(4-bromo-2-thienyl)pr (1S,2R)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 2.32 6.23 -102.2 4 3 2 35 360.365 3 ↓
Hi High (pH 8-9.5) 2.32 4.31 -1.51 2 3 0 32 358.349 3 ↓
Hi High (pH 8-9.5) 2.32 4.66 -45.49 3 3 1 34 359.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(4-bromo-2-thienyl)pr (1R,2S)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 2.32 6.76 -92.07 4 3 2 35 360.365 3 ↓
Hi High (pH 8-9.5) 2.32 4.94 -2.12 2 3 0 32 358.349 3 ↓
Hi High (pH 8-9.5) 2.32 5.19 -43.53 3 3 1 34 359.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(4-bromo-2-thienyl)pr (1R,2R)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 2.32 6.53 -93.6 4 3 2 35 360.365 3 ↓
Hi High (pH 8-9.5) 2.32 4.63 -1.6 2 3 0 32 358.349 3 ↓
Hi High (pH 8-9.5) 2.32 4.96 -43.12 3 3 1 34 359.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-2-(5-methyl-2-thienyl)etha (2R)-2-[(9aR)-1,3,4,5,7,8,9,9a-o…

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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 6.2 -101.82 4 3 2 35 281.469 3 ↓
Hi High (pH 8-9.5) 1.40 3.91 -2.87 2 3 0 32 279.453 3 ↓
Hi High (pH 8-9.5) 1.40 4.62 -44.97 3 3 1 34 280.461 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-2-(5-methyl-2-thienyl)etha (2S)-2-[(9aR)-1,3,4,5,7,8,9,9a-o…

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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 -99.61 4 3 2 35 281.469 3 ↓
Hi High (pH 8-9.5) 1.40 4.03 -3.48 2 3 0 32 279.453 3 ↓
Hi High (pH 8-9.5) 1.40 4.44 -45.38 3 3 1 34 280.461 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(3-methyl-2-thienyl)p (1R,2R)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 1.96 6.62 -89.75 4 3 2 35 295.496 3 ↓
Hi High (pH 8-9.5) 1.96 5.05 -41.43 3 3 1 34 294.488 3 ↓
Hi High (pH 8-9.5) 1.96 4.69 -2.52 2 3 0 32 293.48 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(3-methyl-2-thienyl)p (1S,2R)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 1.96 6.19 -98.72 4 3 2 35 295.496 3 ↓
Hi High (pH 8-9.5) 1.96 4.62 -43.54 3 3 1 34 294.488 3 ↓
Hi High (pH 8-9.5) 1.96 4.79 -1.83 2 3 0 32 293.48 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(3-methyl-2-thienyl)p (1R,2S)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 1.96 6.71 -88.39 4 3 2 35 295.496 3 ↓
Hi High (pH 8-9.5) 1.96 5.16 -41.77 3 3 1 34 294.488 3 ↓
Hi High (pH 8-9.5) 1.96 4.81 -2.06 2 3 0 32 293.48 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(3-methyl-2-thienyl)p (1S,2S)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 1.96 6.18 -87.57 4 3 2 35 295.496 3 ↓
Hi High (pH 8-9.5) 1.96 4.61 -40.29 3 3 1 34 294.488 3 ↓
Hi High (pH 8-9.5) 1.96 4.3 -1.93 2 3 0 32 293.48 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(5-bromo-2-thienyl)bu (1S,2S)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 3.05 7.19 -93.32 4 3 2 35 374.392 4 ↓
Hi High (pH 8-9.5) 3.05 5.31 -1.29 2 3 0 32 372.376 4 ↓
Hi High (pH 8-9.5) 3.05 5.62 -44.17 3 3 1 34 373.384 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(5-bromo-2-thienyl)bu (1S,2R)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 3.05 7.74 -97.45 4 3 2 35 374.392 4 ↓
Hi High (pH 8-9.5) 3.05 5.23 -1.68 2 3 0 32 372.376 4 ↓
Hi High (pH 8-9.5) 3.05 6.18 -46.35 3 3 1 34 373.384 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(5-bromo-2-thienyl)bu (1R,2S)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 3.05 7.74 -93.64 4 3 2 35 374.392 4 ↓
Hi High (pH 8-9.5) 3.05 6.19 -45.52 3 3 1 34 373.384 4 ↓
Hi High (pH 8-9.5) 3.05 5.93 -2.44 2 3 0 32 372.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(5-bromo-2-thienyl)bu (1R,2R)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 3.05 7.61 -94.46 4 3 2 35 374.392 4 ↓
Hi High (pH 8-9.5) 3.05 5.61 -1.79 2 3 0 32 372.376 4 ↓
Hi High (pH 8-9.5) 3.05 6.03 -45.14 3 3 1 34 373.384 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(4-bromo-2-thienyl)bu (1S,2S)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 2.85 7.08 -91.75 4 3 2 35 374.392 4 ↓
Hi High (pH 8-9.5) 2.85 5.2 -1.41 2 3 0 32 372.376 4 ↓
Hi High (pH 8-9.5) 2.85 5.51 -42.02 3 3 1 34 373.384 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(4-bromo-2-thienyl)bu (1S,2R)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 2.85 7.63 -95.45 4 3 2 35 374.392 4 ↓
Hi High (pH 8-9.5) 2.85 6.06 -43.54 3 3 1 34 373.384 4 ↓
Hi High (pH 8-9.5) 2.85 5.11 -1.3 2 3 0 32 372.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(4-bromo-2-thienyl)bu (1R,2S)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 2.85 7.63 -91.83 4 3 2 35 374.392 4 ↓
Hi High (pH 8-9.5) 2.85 6.07 -42.71 3 3 1 34 373.384 4 ↓
Hi High (pH 8-9.5) 2.85 5.81 -2.03 2 3 0 32 372.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(4-bromo-2-thienyl)bu (1R,2R)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 2.85 7.49 -93.31 4 3 2 35 374.392 4 ↓
Hi High (pH 8-9.5) 2.85 5.91 -42.63 3 3 1 34 373.384 4 ↓
Hi High (pH 8-9.5) 2.85 5.49 -1.44 2 3 0 32 372.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-2-(2-thienyl)ethanamine (2R)-2-[(9aR)-1,3,4,5,7,8,9,9a-o…

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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 5.37 -101.67 4 3 2 35 267.442 3 ↓
Hi High (pH 8-9.5) 1.18 3.78 -45.09 3 3 1 34 266.434 3 ↓
Hi High (pH 8-9.5) 1.18 3.06 -2.6 2 3 0 32 265.426 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-2-(2-thienyl)ethanamine (2S)-2-[(9aR)-1,3,4,5,7,8,9,9a-o…

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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 5.17 -99.55 4 3 2 35 267.442 3 ↓
Hi High (pH 8-9.5) 1.18 3.59 -45.39 3 3 1 34 266.434 3 ↓
Hi High (pH 8-9.5) 1.18 3.24 -2.06 2 3 0 32 265.426 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(2-thienyl)propan-2-a (1S,2S)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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 5.59 -87.89 4 3 2 35 281.469 3 ↓
Hi High (pH 8-9.5) 1.58 3.71 -1.83 2 3 0 32 279.453 3 ↓
Hi High (pH 8-9.5) 1.58 4.02 -41 3 3 1 34 280.461 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(2-thienyl)propan-2-a (1S,2R)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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 5.6 -98.03 4 3 2 35 281.469 3 ↓
Hi High (pH 8-9.5) 1.58 4.04 -43.45 3 3 1 34 280.461 3 ↓
Hi High (pH 8-9.5) 1.58 3.69 -1.86 2 3 0 32 279.453 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(2-thienyl)propan-2-a (1R,2S)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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 6.15 -88.39 4 3 2 35 281.469 3 ↓
Hi High (pH 8-9.5) 1.58 4.58 -42.3 3 3 1 34 280.461 3 ↓
Hi High (pH 8-9.5) 1.58 4.27 -1.81 2 3 0 32 279.453 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(2-thienyl)propan-2-a (1R,2R)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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 5.92 -89.61 4 3 2 35 281.469 3 ↓
Hi High (pH 8-9.5) 1.58 4.35 -41.8 3 3 1 34 280.461 3 ↓
Hi High (pH 8-9.5) 1.58 4.02 -1.73 2 3 0 32 279.453 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(3-methyl-2-thienyl)b (1S,2S)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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 7.06 -87.57 4 3 2 35 309.523 4 ↓
Hi High (pH 8-9.5) 2.49 5.19 -1.72 2 3 0 32 307.507 4 ↓
Hi High (pH 8-9.5) 2.49 5.5 -39.71 3 3 1 34 308.515 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(3-methyl-2-thienyl)b (1S,2R)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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 7.56 -92.15 4 3 2 35 309.523 4 ↓
Hi High (pH 8-9.5) 2.49 5.36 -2.92 2 3 0 32 307.507 4 ↓
Hi High (pH 8-9.5) 2.49 5.51 -42.54 3 3 1 34 308.515 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(3-methyl-2-thienyl)b (1R,2S)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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 7.55 -88.08 4 3 2 35 309.523 4 ↓
Hi High (pH 8-9.5) 2.49 6 -41.31 3 3 1 34 308.515 4 ↓
Hi High (pH 8-9.5) 2.49 5.69 -1.71 2 3 0 32 307.507 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(3-methyl-2-thienyl)b (1R,2R)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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 7.42 -89.37 4 3 2 35 309.523 4 ↓
Hi High (pH 8-9.5) 2.49 5.84 -40.82 3 3 1 34 308.515 4 ↓
Hi High (pH 8-9.5) 2.49 5.43 -2.38 2 3 0 32 307.507 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(5-chloro-2-thienyl)p (1S,2S)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 2.38 6.21 -93.05 4 3 2 35 315.914 3 ↓
Hi High (pH 8-9.5) 2.38 4.65 -44.61 3 3 1 34 314.906 3 ↓
Hi High (pH 8-9.5) 2.38 4.34 -1.46 2 3 0 32 313.898 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(5-chloro-2-thienyl)p (1S,2R)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 2.38 6.23 -102.85 4 3 2 35 315.914 3 ↓
Hi High (pH 8-9.5) 2.38 5.32 -46.42 3 3 1 34 314.906 3 ↓
Hi High (pH 8-9.5) 2.38 4.89 -1.78 2 3 0 32 313.898 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(5-chloro-2-thienyl)p (1R,2S)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 2.38 6.77 -93.63 4 3 2 35 315.914 3 ↓
Hi High (pH 8-9.5) 2.38 5.21 -45.92 3 3 1 34 314.906 3 ↓
Hi High (pH 8-9.5) 2.38 5 -2.45 2 3 0 32 313.898 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(5-chloro-2-thienyl)p (1R,2R)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 2.38 6.54 -94.49 4 3 2 35 315.914 3 ↓
Hi High (pH 8-9.5) 2.38 4.97 -45.45 3 3 1 34 314.906 3 ↓
Hi High (pH 8-9.5) 2.38 4.64 -2.24 2 3 0 32 313.898 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(5-bromo-2-thienyl)pr (1S,2S)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 2.51 6.32 -93.2 4 3 2 35 360.365 3 ↓
Hi High (pH 8-9.5) 2.51 4.75 -44.7 3 3 1 34 359.357 3 ↓
Hi High (pH 8-9.5) 2.51 4.44 -1.45 2 3 0 32 358.349 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-(5-bromo-2-thienyl)pr (1S,2R)-1-[(9aR)-1,3,4,5,7,8,9,9…

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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) 2.51 6.33 -102.98 4 3 2 35 360.365 3 ↓
Hi High (pH 8-9.5) 2.51 4.77 -46.78 3 3 1 34 359.357 3 ↓
Hi High (pH 8-9.5) 2.51 4.99 -1.83 2 3 0 32 358.349 3 ↓

Parameters Provided:

ring.id = 312617
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 = 312617 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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