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Analogs

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Popular Name: (2R)-1-(8-azaspiro[4.5]decan-8-yl)-3-(cyclopropylamino)propan-2-ol (2R)-1-(8-azaspiro[4.5]decan-8-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) 1.73 5.91 -103.34 4 3 2 41 254.418 5 ↓
Mid Mid (pH 6-8) 1.73 3.64 -35.83 3 3 1 40 253.41 5 ↓

Analogs

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Popular Name: (2S)-1-(8-azaspiro[4.5]decan-8-yl)-3-(cyclopropylamino)propan-2-ol (2S)-1-(8-azaspiro[4.5]decan-8-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) 1.73 5.9 -103.36 4 3 2 41 254.418 5 ↓
Mid Mid (pH 6-8) 1.73 3.61 -35.88 3 3 1 40 253.41 5 ↓

Analogs

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Popular Name: N-[3-(8-azaspiro[4.5]decan-8-yl)propyl]cyclopropanamine N-[3-(8-azaspiro[4.5]decan-8-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) 2.65 9.03 -103.16 3 2 2 21 238.419 5 ↓
Mid Mid (pH 6-8) 2.65 6.79 -34.82 2 2 1 20 237.411 5 ↓

Analogs

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Popular Name: (2S)-4-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)butanenitrile (2S)-4-(8-azaspiro[4.5]decan-8-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) 2.42 8.26 -43.96 2 3 1 40 262.421 5 ↓
Hi High (pH 8-9.5) 2.42 6.03 -4.03 1 3 0 39 261.413 5 ↓

Analogs

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Popular Name: (2R)-4-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)butanenitrile (2R)-4-(8-azaspiro[4.5]decan-8-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) 2.42 8.16 -49.73 2 3 1 40 262.421 5 ↓
Hi High (pH 8-9.5) 2.42 5.91 -5.71 1 3 0 39 261.413 5 ↓

Analogs

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Popular Name: (2R)-4-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methyl-butanenitrile (2R)-4-(8-azaspiro[4.5]decan-8-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) 2.87 8.12 -43.47 2 3 1 40 276.448 5 ↓
Hi High (pH 8-9.5) 2.87 5.87 -5.87 1 3 0 39 275.44 5 ↓

Analogs

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Popular Name: (2S)-4-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methyl-butanenitrile (2S)-4-(8-azaspiro[4.5]decan-8-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) 2.87 8.1 -41.73 2 3 1 40 276.448 5 ↓
Hi High (pH 8-9.5) 2.87 5.86 -4.04 1 3 0 39 275.44 5 ↓

Analogs

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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) 2.50 8.29 -39.77 2 4 1 43 295.447 7 ↓

Analogs

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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) 2.50 8.15 -44.74 2 4 1 43 295.447 7 ↓

Analogs

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Popular Name: (2R)-4-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methyl-butanoic (2R)-4-(8-azaspiro[4.5]decan-8-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) 0.35 9.56 -62.51 3 4 1 61 295.447 6 ↓
Hi High (pH 8-9.5) 0.35 7.3 -31.51 2 4 0 60 294.439 6 ↓
Mid Mid (pH 6-8) 0.35 8.49 -42.76 2 4 0 57 294.439 6 ↓

Analogs

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Popular Name: (2S)-4-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methyl-butanoic (2S)-4-(8-azaspiro[4.5]decan-8-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) 0.35 9.61 -64.42 3 4 1 61 295.447 6 ↓
Hi High (pH 8-9.5) 0.35 7.36 -32.63 2 4 0 60 294.439 6 ↓
Mid Mid (pH 6-8) 0.35 8.49 -40.9 2 4 0 57 294.439 6 ↓

Analogs

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Popular Name: (2R)-4-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methyl-butanamide (2R)-4-(8-azaspiro[4.5]decan-8-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) 1.82 4.95 -37.88 4 4 1 60 294.463 6 ↓
Lo Low (pH 4.5-6) 1.82 6.15 -108.91 5 4 2 64 295.471 6 ↓

Analogs

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Popular Name: (2S)-4-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methyl-butanamide (2S)-4-(8-azaspiro[4.5]decan-8-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) 1.82 4.87 -38.52 4 4 1 60 294.463 6 ↓
Lo Low (pH 4.5-6) 1.82 5.98 -108.78 5 4 2 64 295.471 6 ↓

Analogs

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Popular Name: (2S)-4-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)butanamide (2S)-4-(8-azaspiro[4.5]decan-8-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) 1.93 4.81 -43.53 4 4 1 60 280.436 6 ↓
Lo Low (pH 4.5-6) 1.93 5.73 -117.93 5 4 2 64 281.444 6 ↓

Analogs

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Popular Name: (2R)-4-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)butanamide (2R)-4-(8-azaspiro[4.5]decan-8-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) 1.93 4.71 -49.64 4 4 1 60 280.436 6 ↓
Lo Low (pH 4.5-6) 1.93 5.72 -117.9 5 4 2 64 281.444 6 ↓

Analogs

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Popular Name: (2S)-4-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)butanoic (2S)-4-(8-azaspiro[4.5]decan-8-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) 0.43 9.65 -82.42 3 4 1 61 281.42 6 ↓
Hi High (pH 8-9.5) 0.43 7.41 -33.73 2 4 0 60 280.412 6 ↓
Mid Mid (pH 6-8) 0.43 8.67 -48.91 2 4 0 57 280.412 6 ↓

Analogs

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Popular Name: (2R)-4-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)butanoic (2R)-4-(8-azaspiro[4.5]decan-8-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) 0.43 9.58 -82.02 3 4 1 61 281.42 6 ↓
Hi High (pH 8-9.5) 0.43 7.35 -33.59 2 4 0 60 280.412 6 ↓
Mid Mid (pH 6-8) 0.43 8.58 -57.64 2 4 0 57 280.412 6 ↓

Analogs

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Popular Name: N-[(2S)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-2-methyl-butyl]cyclopropanamine N-[(2S)-2-(8-azaspiro[4.5]decan-…

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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) 3.87 10.73 -103.2 3 2 2 21 280.5 6 ↓
Hi High (pH 8-9.5) 3.87 9.17 -32.24 2 2 1 20 279.492 6 ↓

Analogs

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Popular Name: N-[(2R)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-2-methyl-butyl]cyclopropanamine N-[(2R)-2-(8-azaspiro[4.5]decan-…

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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) 3.87 10.83 -101.87 3 2 2 21 280.5 6 ↓
Hi High (pH 8-9.5) 3.87 9.13 -32.98 2 2 1 20 279.492 6 ↓

Analogs

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Popular Name: N-[3-(8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-propyl]cyclopropanamine N-[3-(8-azaspiro[4.5]decan-8-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) 3.54 10.34 -97.63 3 2 2 21 266.473 5 ↓
Hi High (pH 8-9.5) 3.54 8.71 -32.08 2 2 1 20 265.465 5 ↓

Analogs

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Popular Name: N-[(3S)-3-(8-azaspiro[4.5]decan-8-yl)butyl]cyclopropanamine N-[(3S)-3-(8-azaspiro[4.5]decan-…

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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) 2.98 9.43 -104.94 3 2 2 21 252.446 5 ↓
Mid Mid (pH 6-8) 2.98 7.64 -34.05 2 2 1 20 251.438 5 ↓

Analogs

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Popular Name: N-[(3R)-3-(8-azaspiro[4.5]decan-8-yl)butyl]cyclopropanamine N-[(3R)-3-(8-azaspiro[4.5]decan-…

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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) 2.98 9.43 -105.22 3 2 2 21 252.446 5 ↓
Mid Mid (pH 6-8) 2.98 7.56 -34.02 2 2 1 20 251.438 5 ↓

Analogs

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Popular Name: (2S,4S)-4-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methyl-pentan-1-ol (2S,4S)-4-(8-azaspiro[4.5]decan-…

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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) 2.78 6.95 -95.72 4 3 2 41 296.499 6 ↓
Mid Mid (pH 6-8) 2.78 7.4 -26.53 3 3 1 40 295.491 6 ↓

Analogs

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Popular Name: (2S,4R)-4-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methyl-pentan-1-ol (2S,4R)-4-(8-azaspiro[4.5]decan-…

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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) 2.78 6.76 -93.93 4 3 2 41 296.499 6 ↓
Mid Mid (pH 6-8) 2.78 4.57 -30.99 3 3 1 40 295.491 6 ↓

Analogs

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Popular Name: (2R,4S)-4-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methyl-pentan-1-ol (2R,4S)-4-(8-azaspiro[4.5]decan-…

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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) 2.78 6.86 -94.1 4 3 2 41 296.499 6 ↓
Mid Mid (pH 6-8) 2.78 7.04 -28.89 3 3 1 40 295.491 6 ↓

Analogs

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Popular Name: (2R,4R)-4-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methyl-pentan-1-ol (2R,4R)-4-(8-azaspiro[4.5]decan-…

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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) 2.78 6.98 -95.8 4 3 2 41 296.499 6 ↓
Mid Mid (pH 6-8) 2.78 4.81 -31.62 3 3 1 40 295.491 6 ↓

Analogs

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Popular Name: (2R)-4-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methyl-butan-1-ol (2R)-4-(8-azaspiro[4.5]decan-8-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) 2.45 6.51 -97 4 3 2 41 282.472 6 ↓
Mid Mid (pH 6-8) 2.45 4.26 -30.88 3 3 1 40 281.464 6 ↓

Analogs

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Popular Name: (2S)-4-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methyl-butan-1-ol (2S)-4-(8-azaspiro[4.5]decan-8-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) 2.45 6.55 -96.89 4 3 2 41 282.472 6 ↓
Mid Mid (pH 6-8) 2.45 4.3 -30.34 3 3 1 40 281.464 6 ↓

Parameters Provided:

ring.id = 317699
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 = 317699 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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