UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [2-(8-azaspiro[4.5]decan-8-yl)-4-pyridyl]methanamine [2-(8-azaspiro[4.5]decan-8-yl)-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) 2.16 6.43 -27.04 3 3 1 43 246.378 2 ↓
Hi High (pH 8-9.5) 2.16 6.1 -4.2 2 3 0 42 245.37 2 ↓
Mid Mid (pH 6-8) 2.16 6.49 -48.59 3 3 1 44 246.378 2 ↓

Analogs

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Popular Name: [6-(8-azaspiro[4.5]decan-8-yl)-3-pyridyl]methanamine [6-(8-azaspiro[4.5]decan-8-yl)-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) 2.21 6.48 -45.41 3 3 1 44 246.378 2 ↓
Hi High (pH 8-9.5) 2.21 6.07 -4.29 2 3 0 42 245.37 2 ↓
Mid Mid (pH 6-8) 2.21 6.8 -102.95 4 3 2 45 247.386 2 ↓

Analogs

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Popular Name: [2-(8-azaspiro[4.5]decan-8-yl)-3-pyridyl]methanamine [2-(8-azaspiro[4.5]decan-8-yl)-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) 2.16 6.49 -48.93 3 3 1 44 246.378 2 ↓
Hi High (pH 8-9.5) 2.16 6.17 -4.28 2 3 0 42 245.37 2 ↓
Mid Mid (pH 6-8) 2.16 6.97 -103.55 4 3 2 45 247.386 2 ↓

Analogs

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Popular Name: [2-(8-azaspiro[4.5]decan-8-yl)-4,6-dimethyl-3-pyridyl]methanamine [2-(8-azaspiro[4.5]decan-8-yl)-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) 2.98 8.18 -100.4 4 3 2 45 275.44 2 ↓
Mid Mid (pH 6-8) 2.98 7.81 -23.24 3 3 1 43 274.432 2 ↓

Analogs

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Popular Name: [2-(8-azaspiro[4.5]decan-8-yl)-6-methyl-3-pyridyl]methanamine [2-(8-azaspiro[4.5]decan-8-yl)-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) 2.22 7.55 -102.32 4 3 2 45 261.413 2 ↓
Hi High (pH 8-9.5) 2.22 6.78 -4.47 2 3 0 42 259.397 2 ↓
Hi High (pH 8-9.5) 2.22 7.22 -24.23 3 3 1 43 260.405 2 ↓

Analogs

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Popular Name: 6-(8-azaspiro[4.5]decan-8-yl)pyridin-3-amine 6-(8-azaspiro[4.5]decan-8-yl)pyr…

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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) 2.68 6.66 -25.8 3 3 1 43 232.351 1 ↓
Mid Mid (pH 6-8) 2.68 6.34 -4.56 2 3 0 42 231.343 1 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-5-bromo-pyridin-3-amine 2-(8-azaspiro[4.5]decan-8-yl)-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) 3.42 7.1 -3.7 2 3 0 42 310.239 1 ↓

Analogs

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Popular Name: 5-amino-2-(8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide 5-amino-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) 1.43 3.58 -9.47 4 5 0 85 274.368 2 ↓
Lo Low (pH 4.5-6) 1.43 4.07 -33.79 5 5 1 86 275.376 2 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)pyridin-4-amine 2-(8-azaspiro[4.5]decan-8-yl)pyr…

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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) 2.05 6.68 -26.26 3 3 1 43 232.351 1 ↓

Analogs

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Popular Name: 5-amino-2-(8-azaspiro[4.5]decan-8-yl)pyridine-3-carbonitrile 5-amino-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) 2.36 6.71 -6.12 2 4 0 66 256.353 1 ↓

Analogs

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Popular Name: 6-(8-azaspiro[4.5]decan-8-yl)-2-methoxy-pyridin-3-amine 6-(8-azaspiro[4.5]decan-8-yl)-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) 2.86 5.09 -5.04 2 4 0 51 261.369 2 ↓
Mid Mid (pH 6-8) 2.86 4.92 -30.04 3 4 1 53 262.377 2 ↓

Analogs

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Popular Name: 6-(8-azaspiro[4.5]decan-8-yl)-2-ethoxy-pyridin-3-amine 6-(8-azaspiro[4.5]decan-8-yl)-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) 3.24 6.05 -4.99 2 4 0 51 275.396 3 ↓
Mid Mid (pH 6-8) 3.24 5.85 -29.89 3 4 1 53 276.404 3 ↓

Analogs

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Popular Name: 6-(8-azaspiro[4.5]decan-8-yl)-2-isopropoxy-pyridin-3-amine 6-(8-azaspiro[4.5]decan-8-yl)-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) 3.60 6.95 -4.73 2 4 0 51 289.423 3 ↓
Mid Mid (pH 6-8) 3.60 6.8 -29.88 3 4 1 53 290.431 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(8-azaspiro[4.5]decan-8-yl)-5-methyl-pyridin-3-amine 6-(8-azaspiro[4.5]decan-8-yl)-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) 3.06 7.62 -25.39 3 3 1 43 246.378 1 ↓
Mid Mid (pH 6-8) 3.06 7.15 -4.87 2 3 0 42 245.37 1 ↓
Mid Mid (pH 6-8) 3.06 7.39 -26.93 3 3 1 43 246.378 1 ↓

Analogs

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Popular Name: 6-(8-azaspiro[4.5]decan-8-yl)-N'-hydroxy-pyridine-3-carboxamidine 6-(8-azaspiro[4.5]decan-8-yl)-N'…

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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) 1.34 5.13 -7.07 3 5 0 75 274.368 2 ↓
Lo Low (pH 4.5-6) 1.34 5.44 -32.88 4 5 1 76 275.376 2 ↓
Lo Low (pH 4.5-6) 1.34 5.1 -34.17 4 5 1 76 275.376 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-N'-hydroxy-pyridine-3-carboxamidine 2-(8-azaspiro[4.5]decan-8-yl)-N'…

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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) 1.29 5.1 -6.87 3 5 0 75 274.368 2 ↓
Lo Low (pH 4.5-6) 1.29 5.56 -33.04 4 5 1 76 275.376 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-N'-hydroxy-6-methyl-pyridine-3-carboxamidine 2-(8-azaspiro[4.5]decan-8-yl)-N'…

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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) 1.34 6.73 -6.92 3 5 0 75 288.395 2 ↓
Mid Mid (pH 6-8) 1.34 7.15 -30.31 4 5 1 76 289.403 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamidine 6-(8-azaspiro[4.5]decan-8-yl)pyr…

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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) 1.42 6.32 -32.87 4 4 1 68 259.377 2 ↓
Lo Low (pH 4.5-6) 1.42 6.28 -89.77 5 4 2 69 260.385 2 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)pyridine-4-carboxamidine 2-(8-azaspiro[4.5]decan-8-yl)pyr…

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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) 1.36 6.56 -93.24 5 4 2 69 260.385 2 ↓
Hi High (pH 8-9.5) 1.36 6.22 -35.72 4 4 1 68 259.377 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamidine 2-(8-azaspiro[4.5]decan-8-yl)pyr…

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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) 1.36 6.15 -35.17 4 4 1 68 259.377 2 ↓
Hi High (pH 8-9.5) 1.36 7.16 -5.89 3 4 0 66 258.369 2 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-4,6-dimethyl-pyridine-3-carboxamidine 2-(8-azaspiro[4.5]decan-8-yl)-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) 2.18 6.83 -34.36 4 4 1 68 287.431 2 ↓
Hi High (pH 8-9.5) 2.18 6.87 -5.86 3 4 0 66 286.423 2 ↓
Mid Mid (pH 6-8) 2.18 7.25 -88.96 5 4 2 69 288.439 2 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-6-methyl-pyridine-3-carboxamidine 2-(8-azaspiro[4.5]decan-8-yl)-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) 1.42 6.76 -35.28 4 4 1 68 273.404 2 ↓
Hi High (pH 8-9.5) 1.42 7.77 -6.06 3 4 0 66 272.396 2 ↓
Lo Low (pH 4.5-6) 1.42 7.19 -91.71 5 4 2 69 274.412 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-(8-azaspiro[4.5]decan-8-yl)-2-pyridyl]methanol [6-(8-azaspiro[4.5]decan-8-yl)-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) 2.44 6.21 -26.51 2 3 1 38 247.362 2 ↓
Mid Mid (pH 6-8) 2.44 5.91 -5.53 1 3 0 36 246.354 2 ↓

Analogs

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Popular Name: [2-(8-azaspiro[4.5]decan-8-yl)-4-pyridyl]methanol [2-(8-azaspiro[4.5]decan-8-yl)-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) 2.32 6.11 -28.68 2 3 1 38 247.362 2 ↓
Mid Mid (pH 6-8) 2.32 5.78 -6.17 1 3 0 36 246.354 2 ↓

Analogs

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Popular Name: [6-(8-azaspiro[4.5]decan-8-yl)-3-chloro-2-pyridyl]methanol [6-(8-azaspiro[4.5]decan-8-yl)-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) 3.45 6.12 -6.12 1 3 0 36 280.799 2 ↓
Lo Low (pH 4.5-6) 3.45 6.8 -24.96 2 3 1 38 281.807 2 ↓

Analogs

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Popular Name: [2-(8-azaspiro[4.5]decan-8-yl)-4,6-dimethyl-3-pyridyl]methanol [2-(8-azaspiro[4.5]decan-8-yl)-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) 3.13 7.58 -24.64 2 3 1 38 275.416 2 ↓

Analogs

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Popular Name: [6-(8-azaspiro[4.5]decan-8-yl)-3-pyridyl]methanol [6-(8-azaspiro[4.5]decan-8-yl)-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) 2.37 6.09 -27.9 2 3 1 38 247.362 2 ↓
Mid Mid (pH 6-8) 2.37 5.77 -6.1 1 3 0 36 246.354 2 ↓

Analogs

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Popular Name: [6-(8-azaspiro[4.5]decan-8-yl)-5-chloro-3-pyridyl]methanol [6-(8-azaspiro[4.5]decan-8-yl)-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) 2.97 6.25 -5.31 1 3 0 36 280.799 2 ↓
Lo Low (pH 4.5-6) 2.97 6.73 -29.64 2 3 1 38 281.807 2 ↓

Analogs

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Popular Name: [2-(8-azaspiro[4.5]decan-8-yl)-5-bromo-3-pyridyl]methanol [2-(8-azaspiro[4.5]decan-8-yl)-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) 3.27 6.53 -4.63 1 3 0 36 325.25 2 ↓

Analogs

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Popular Name: 8-[6-(chloromethyl)-2-pyridyl]-8-azaspiro[4.5]decane 8-[6-(chloromethyl)-2-pyridyl]-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) 3.67 9.66 -4.61 0 2 0 16 264.8 2 ↓
Mid Mid (pH 6-8) 3.67 9.96 -27.39 1 2 1 17 265.808 2 ↓

Analogs

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Popular Name: 8-[4-(chloromethyl)-2-pyridyl]-8-azaspiro[4.5]decane 8-[4-(chloromethyl)-2-pyridyl]-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) 3.55 9.75 -4.43 0 2 0 16 264.8 2 ↓
Mid Mid (pH 6-8) 3.55 10.07 -29.64 1 2 1 17 265.808 2 ↓

Analogs

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Popular Name: 8-[5-chloro-6-(chloromethyl)-2-pyridyl]-8-azaspiro[4.5]decane 8-[5-chloro-6-(chloromethyl)-2-p…

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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) 4.69 10.08 -3.88 0 2 0 16 299.245 2 ↓

Analogs

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Popular Name: 8-[3-(chloromethyl)-4,6-dimethyl-2-pyridyl]-8-azaspiro[4.5]decane 8-[3-(chloromethyl)-4,6-dimethyl…

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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) 4.37 11.46 -25.65 1 2 1 17 293.862 2 ↓
Hi High (pH 8-9.5) 4.37 11.01 -4.47 0 2 0 16 292.854 2 ↓

Analogs

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Popular Name: 8-[5-(chloromethyl)-2-pyridyl]-8-azaspiro[4.5]decane 8-[5-(chloromethyl)-2-pyridyl]-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) 3.61 9.72 -4.43 0 2 0 16 264.8 2 ↓
Mid Mid (pH 6-8) 3.61 10.05 -29.38 1 2 1 17 265.808 2 ↓

Analogs

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Popular Name: 8-[3-chloro-5-(chloromethyl)-2-pyridyl]-8-azaspiro[4.5]decane 8-[3-chloro-5-(chloromethyl)-2-p…

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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) 4.21 10.2 -4.03 0 2 0 16 299.245 2 ↓

Analogs

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Popular Name: 8-[5-bromo-3-(chloromethyl)-2-pyridyl]-8-azaspiro[4.5]decane 8-[5-bromo-3-(chloromethyl)-2-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) 4.51 10.42 -3.17 0 2 0 16 343.696 2 ↓

Analogs

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Popular Name: N-[[6-(8-azaspiro[4.5]decan-8-yl)-5-chloro-3-pyridyl]methyl]ethanamine N-[[6-(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) 3.57 9.7 -43.29 2 3 1 33 308.877 4 ↓
Hi High (pH 8-9.5) 3.57 8.33 -2.87 1 3 0 28 307.869 4 ↓

Analogs

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Popular Name: 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-pyridyl]-N-methyl-methanamine 1-[2-(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) 2.54 7.25 -27.4 2 3 1 29 260.405 3 ↓
Hi High (pH 8-9.5) 2.54 6.92 -3.7 1 3 0 28 259.397 3 ↓
Mid Mid (pH 6-8) 2.54 8.36 -42.8 2 3 1 33 260.405 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(8-azaspiro[4.5]decan-8-yl)-4-pyridyl]methyl]ethanamine N-[[2-(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) 2.91 9.22 -41.93 2 3 1 33 274.432 4 ↓
Hi High (pH 8-9.5) 2.91 8.18 -27.21 2 3 1 29 274.432 4 ↓
Hi High (pH 8-9.5) 2.91 7.86 -3.51 1 3 0 28 273.424 4 ↓

Analogs

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Popular Name: N-[[2-(8-azaspiro[4.5]decan-8-yl)-4-pyridyl]methyl]propan-1-amine N-[[2-(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) 3.42 9.98 -42.84 2 3 1 33 288.459 5 ↓
Hi High (pH 8-9.5) 3.42 8.95 -27.32 2 3 1 29 288.459 5 ↓
Hi High (pH 8-9.5) 3.42 8.62 -3.38 1 3 0 28 287.451 5 ↓

Analogs

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Popular Name: N-[[2-(8-azaspiro[4.5]decan-8-yl)-4-pyridyl]methyl]propan-2-amine N-[[2-(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) 3.21 9.76 -40.26 2 3 1 33 288.459 4 ↓
Hi High (pH 8-9.5) 3.21 8.85 -27.26 2 3 1 29 288.459 4 ↓
Hi High (pH 8-9.5) 3.21 8.53 -3.44 1 3 0 28 287.451 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-(8-azaspiro[4.5]decan-8-yl)-2-pyridyl]methyl]ethanamine N-[[6-(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) 3.03 9.18 -35.3 2 3 1 33 274.432 4 ↓
Hi High (pH 8-9.5) 3.03 7.79 -3.56 1 3 0 28 273.424 4 ↓
Mid Mid (pH 6-8) 3.03 8.09 -24.61 2 3 1 29 274.432 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[6-(8-azaspiro[4.5]decan-8-yl)-2-pyridyl]-N-methyl-methanamine 1-[6-(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) 2.66 8.32 -36.3 2 3 1 33 260.405 3 ↓
Hi High (pH 8-9.5) 2.66 6.86 -3.73 1 3 0 28 259.397 3 ↓
Mid Mid (pH 6-8) 2.66 7.15 -24.44 2 3 1 29 260.405 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-(8-azaspiro[4.5]decan-8-yl)-2-pyridyl]methyl]propan-1-amine N-[[6-(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) 3.53 9.92 -36.07 2 3 1 33 288.459 5 ↓
Mid Mid (pH 6-8) 3.53 8.85 -24.69 2 3 1 29 288.459 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-(8-azaspiro[4.5]decan-8-yl)-2-pyridyl]methyl]propan-2-amine N-[[6-(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) 3.33 9.69 -33.96 2 3 1 33 288.459 4 ↓
Mid Mid (pH 6-8) 3.33 8.78 -24.6 2 3 1 29 288.459 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-(8-azaspiro[4.5]decan-8-yl)-2-pyridyl]methanamine [6-(8-azaspiro[4.5]decan-8-yl)-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) 2.28 6.33 -24.43 3 3 1 43 246.378 2 ↓
Hi High (pH 8-9.5) 2.28 6.44 -41.55 3 3 1 44 246.378 2 ↓
Hi High (pH 8-9.5) 2.28 6.04 -4.03 2 3 0 42 245.37 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-(8-azaspiro[4.5]decan-8-yl)-3-chloro-2-pyridyl]methanamine [6-(8-azaspiro[4.5]decan-8-yl)-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) 3.30 6.83 -37.63 3 3 1 44 280.823 2 ↓
Hi High (pH 8-9.5) 3.30 6.42 -3.59 2 3 0 42 279.815 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-(8-azaspiro[4.5]decan-8-yl)-5-chloro-3-pyridyl]methanamine [6-(8-azaspiro[4.5]decan-8-yl)-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) 2.82 6.96 -49.73 3 3 1 44 280.823 2 ↓
Mid Mid (pH 6-8) 2.82 6.56 -3.47 2 3 0 42 279.815 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(8-azaspiro[4.5]decan-8-yl)-5-bromo-3-pyridyl]methanamine [2-(8-azaspiro[4.5]decan-8-yl)-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) 3.12 7.07 -51.72 3 3 1 44 325.274 2 ↓
Hi High (pH 8-9.5) 3.12 6.64 -3.02 2 3 0 42 324.266 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(8-azaspiro[4.5]decan-8-yl)-3-pyridyl]-N-methyl-methanamine 1-[2-(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) 2.54 8.35 -43.38 2 3 1 33 260.405 3 ↓
Hi High (pH 8-9.5) 2.54 7.08 -3.78 1 3 0 28 259.397 3 ↓
Mid Mid (pH 6-8) 2.54 8.83 -97.95 3 3 2 34 261.413 3 ↓

Parameters Provided:

ring.id = 317017
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 = 317017 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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