UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S)-3-(8-azaspiro[4.5]decan-8-yl)-1,1,1-trifluoro-propan-2-ol (2S)-3-(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) 2.51 5.45 -39.5 2 2 1 25 252.3 3 ↓
Mid Mid (pH 6-8) 2.51 5.95 -25.11 1 2 0 27 251.292 3 ↓

Analogs

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Popular Name: (2R)-3-(8-azaspiro[4.5]decan-8-yl)-1,1,1-trifluoro-propan-2-ol (2R)-3-(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) 2.51 5.39 -39.51 2 2 1 25 252.3 3 ↓
Mid Mid (pH 6-8) 2.51 5.9 -25.54 1 2 0 27 251.292 3 ↓

Analogs

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Popular Name: (2R)-1-(8-azaspiro[4.5]decan-8-yl)-3-methoxy-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) 1.57 4.32 -36.93 2 3 1 34 228.356 4 ↓

Analogs

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Popular Name: (2S)-1-(8-azaspiro[4.5]decan-8-yl)-3-methoxy-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) 1.57 4.36 -36.85 2 3 1 34 228.356 4 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-1-cyclopropyl-ethanone 2-(8-azaspiro[4.5]decan-8-yl)-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.27 9.16 -37.07 1 2 1 22 222.352 3 ↓
Hi High (pH 8-9.5) 2.27 6.98 -5.1 0 2 0 20 221.344 3 ↓

Analogs

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Popular Name: (1R)-2-(8-azaspiro[4.5]decan-8-yl)-1-cyclopropyl-ethanamine (1R)-2-(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) 1.96 7.32 -123.47 4 2 2 32 224.392 3 ↓
Mid Mid (pH 6-8) 1.96 6.97 -34.77 3 2 1 30 223.384 3 ↓

Analogs

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Popular Name: (1S)-2-(8-azaspiro[4.5]decan-8-yl)-1-cyclopropyl-ethanamine (1S)-2-(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) 1.96 7.53 -123.83 4 2 2 32 224.392 3 ↓
Mid Mid (pH 6-8) 1.96 7.15 -31.17 3 2 1 30 223.384 3 ↓

Analogs

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Popular Name: (1R)-2-(8-azaspiro[4.5]decan-8-yl)-1-cyclopropyl-ethanol (1R)-2-(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 6.57 -34.87 2 2 1 25 224.368 3 ↓

Analogs

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Popular Name: (1S)-2-(8-azaspiro[4.5]decan-8-yl)-1-cyclopropyl-ethanol (1S)-2-(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 6.84 -34.73 2 2 1 25 224.368 3 ↓

Analogs

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Popular Name: (1R)-2-(8-azaspiro[4.5]decan-8-yl)-1-cyclopropyl-N-methyl-ethanamine (1R)-2-(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 8.78 -109.88 3 2 2 21 238.419 4 ↓
Mid Mid (pH 6-8) 2.87 7.64 -30.72 2 2 1 16 237.411 4 ↓

Analogs

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Popular Name: (1S)-2-(8-azaspiro[4.5]decan-8-yl)-1-cyclopropyl-N-methyl-ethanamine (1S)-2-(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 8.92 -116.8 3 2 2 21 238.419 4 ↓
Mid Mid (pH 6-8) 2.87 7.96 -30.74 2 2 1 16 237.411 4 ↓

Analogs

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Popular Name: (1R)-2-(8-azaspiro[4.5]decan-8-yl)-1-cyclopropyl-N-ethyl-ethanamine (1R)-2-(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) 3.25 10 -111.99 3 2 2 21 252.446 5 ↓
Hi High (pH 8-9.5) 3.25 9.33 -35.16 2 2 1 16 251.438 5 ↓

Analogs

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Popular Name: (1S)-2-(8-azaspiro[4.5]decan-8-yl)-1-cyclopropyl-N-ethyl-ethanamine (1S)-2-(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) 3.25 9.74 -115.87 3 2 2 21 252.446 5 ↓
Hi High (pH 8-9.5) 3.25 8.89 -31.05 2 2 1 16 251.438 5 ↓

Analogs

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Popular Name: N-[(1R)-2-(8-azaspiro[4.5]decan-8-yl)-1-cyclopropyl-ethyl]propan-1-amine N-[(1R)-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) 3.75 10.38 -112.89 3 2 2 21 266.473 6 ↓
Hi High (pH 8-9.5) 3.75 9.3 -31.52 2 2 1 16 265.465 6 ↓
Hi High (pH 8-9.5) 3.75 8.36 -35.34 2 2 1 20 265.465 6 ↓

Analogs

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Popular Name: N-[(1S)-2-(8-azaspiro[4.5]decan-8-yl)-1-cyclopropyl-ethyl]propan-1-amine N-[(1S)-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) 3.75 10.46 -118.22 3 2 2 21 266.473 6 ↓
Hi High (pH 8-9.5) 3.75 9.22 -34.64 2 2 1 16 265.465 6 ↓
Hi High (pH 8-9.5) 3.75 8.49 -32.55 2 2 1 20 265.465 6 ↓

Analogs

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Popular Name: (2S)-3-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-2-(methylamino)propanenitrile (2S)-3-(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) 2.73 8.55 -38.89 2 3 1 40 262.421 4 ↓
Hi High (pH 8-9.5) 2.73 6.49 -6.81 1 3 0 39 261.413 4 ↓

Analogs

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Popular Name: (2R)-3-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-2-(methylamino)propanenitrile (2R)-3-(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) 2.73 7.25 -38.81 2 3 1 40 262.421 4 ↓
Hi High (pH 8-9.5) 2.73 5.11 -5.01 1 3 0 39 261.413 4 ↓

Analogs

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Popular Name: (2S)-3-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-2-(isopropylamino)propanenitrile (2S)-3-(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) 3.40 9.7 -39.3 2 3 1 40 290.475 5 ↓
Hi High (pH 8-9.5) 3.40 7.48 -3.76 1 3 0 39 289.467 5 ↓

Analogs

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Popular Name: (2R)-3-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-2-(isopropylamino)propanenitrile (2R)-3-(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) 3.40 9.23 -41.21 2 3 1 40 290.475 5 ↓
Hi High (pH 8-9.5) 3.40 9.04 -2.69 1 3 0 39 289.467 5 ↓

Analogs

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Popular Name: (2R)-2-amino-3-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-propanenitrile (2R)-2-amino-3-(8-azaspiro[4.5]d…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.35 6.66 -43.37 3 3 1 54 248.394 3 ↓
Hi High (pH 8-9.5) 2.35 4.7 -5.22 2 3 0 53 247.386 3 ↓

Analogs

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Popular Name: (2S)-2-amino-3-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-propanenitrile (2S)-2-amino-3-(8-azaspiro[4.5]d…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.35 7.68 -38.59 3 3 1 54 248.394 3 ↓
Hi High (pH 8-9.5) 2.35 5.78 -6.15 2 3 0 53 247.386 3 ↓

Analogs

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Popular Name: (2R)-3-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile (2R)-3-(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) 3.09 8.82 -44.24 2 3 1 40 288.459 5 ↓
Hi High (pH 8-9.5) 3.09 6.96 -3.75 1 3 0 39 287.451 5 ↓

Analogs

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Popular Name: (2S)-3-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile (2S)-3-(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) 3.09 8.86 -39.12 2 3 1 40 288.459 5 ↓
Hi High (pH 8-9.5) 3.09 6.95 -3.41 1 3 0 39 287.451 5 ↓

Analogs

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Popular Name: (2S)-3-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-2-(ethylamino)propanenitrile (2S)-3-(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) 3.10 9.38 -39.15 2 3 1 40 276.448 5 ↓
Hi High (pH 8-9.5) 3.10 7.37 -6.32 1 3 0 39 275.44 5 ↓

Analogs

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Popular Name: (2R)-3-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-2-(ethylamino)propanenitrile (2R)-3-(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) 3.10 8.15 -38.75 2 3 1 40 276.448 5 ↓
Hi High (pH 8-9.5) 3.10 8.47 -2.93 1 3 0 39 275.44 5 ↓

Analogs

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Popular Name: (2S)-3-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-2-(propylamino)propanenitrile (2S)-3-(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) 3.60 10.13 -39.5 2 3 1 40 290.475 6 ↓
Hi High (pH 8-9.5) 3.60 8.12 -6.31 1 3 0 39 289.467 6 ↓

Analogs

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Popular Name: (2R)-3-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-2-(propylamino)propanenitrile (2R)-3-(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) 3.60 8.91 -39.21 2 3 1 40 290.475 6 ↓
Hi High (pH 8-9.5) 3.60 9.23 -2.96 1 3 0 39 289.467 6 ↓

Analogs

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Popular Name: [(3S)-3-(8-azaspiro[4.5]decan-8-yl)-1,1-dioxo-thian-3-yl]methanamine [(3S)-3-(8-azaspiro[4.5]decan-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) 0.89 2.02 -51.67 3 4 1 65 301.476 2 ↓
Mid Mid (pH 6-8) 0.89 3.73 -140.61 4 4 2 66 302.484 2 ↓
Mid Mid (pH 6-8) 0.89 1.61 -8.5 2 4 0 63 300.468 2 ↓

Analogs

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Popular Name: [(3R)-3-(8-azaspiro[4.5]decan-8-yl)-1,1-dioxo-thian-3-yl]methanamine [(3R)-3-(8-azaspiro[4.5]decan-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) 0.89 2.04 -51.73 3 4 1 65 301.476 2 ↓
Mid Mid (pH 6-8) 0.89 3.29 -44.35 3 4 1 65 301.476 2 ↓
Mid Mid (pH 6-8) 0.89 3.75 -140.24 4 4 2 66 302.484 2 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-4-cyclopropyl-thiazole-5-carbaldehyde 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) 3.60 9.67 -8.17 0 3 0 33 290.432 3 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-4-cyclopropyl-thiazole-5-carboxylic 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) 3.38 10.46 -52.62 0 4 -1 56 305.423 3 ↓
Mid Mid (pH 6-8) 3.38 10.79 -39.1 1 4 0 58 306.431 3 ↓

Analogs

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Popular Name: [2-(8-azaspiro[4.5]decan-8-yl)-4-cyclopropyl-thiazol-5-yl]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) 2.99 7.95 -46.25 3 3 1 44 292.472 3 ↓
Mid Mid (pH 6-8) 2.99 7.55 -4.82 2 3 0 42 291.464 3 ↓

Analogs

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Popular Name: 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-cyclopropyl-thiazol-5-yl]-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) 3.37 9.81 -40.27 2 3 1 33 306.499 4 ↓
Hi High (pH 8-9.5) 3.37 8.37 -4.31 1 3 0 28 305.491 4 ↓

Analogs

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Popular Name: [2-(8-azaspiro[4.5]decan-8-yl)-4-cyclopropyl-thiazol-5-yl]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) 3.14 7.23 -7.04 1 3 0 36 292.448 3 ↓
Mid Mid (pH 6-8) 3.14 7.57 -23.65 2 3 1 38 293.456 3 ↓

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)-5-chloro-phenyl]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) 3.72 8.18 -46.09 3 2 1 31 279.835 2 ↓
Hi High (pH 8-9.5) 3.72 8.08 -0.83 2 2 0 29 278.827 2 ↓

Analogs

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Popular Name: [2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-phenyl]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) 3.49 8.38 -43.54 3 2 1 31 259.417 2 ↓

Analogs

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Popular Name: [3-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methanamine [3-(8-azaspiro[4.5]decan-8-yl)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) 1.77 4.68 -46.48 3 4 1 57 247.366 2 ↓
Mid Mid (pH 6-8) 1.77 4.29 -5.33 2 4 0 55 246.358 2 ↓

Analogs

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Popular Name: [3-(8-azaspiro[4.5]decan-8-yl)-5,6-dimethyl-pyridazin-4-yl]methanamine [3-(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) 2.44 6.54 -57.84 3 4 1 57 275.42 2 ↓
Mid Mid (pH 6-8) 2.44 6.2 -7.29 2 4 0 55 274.412 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(8-azaspiro[4.5]decan-8-yl)-2-chloro-phenyl]methanamine [4-(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) 3.72 7.47 -38.53 3 2 1 31 279.835 2 ↓
Hi High (pH 8-9.5) 3.72 7.07 -2.39 2 2 0 29 278.827 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(8-azaspiro[4.5]decan-8-yl)-3-chloro-phenyl]methanamine [4-(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) 3.72 8.09 -46.1 3 2 1 31 279.835 2 ↓
Hi High (pH 8-9.5) 3.72 7.68 -2.26 2 2 0 29 278.827 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(8-azaspiro[4.5]decan-8-yl)-2-pyridyl]methanamine [4-(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 5.21 -27.39 3 3 1 43 246.378 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(8-azaspiro[4.5]decan-8-yl)-4-chloro-phenyl]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) 3.72 8.22 -48.42 3 2 1 31 279.835 2 ↓
Hi High (pH 8-9.5) 3.72 8.08 -1.39 2 2 0 29 278.827 2 ↓

Analogs

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Popular Name: [2-(8-azaspiro[4.5]decan-8-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]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) 3.04 8.73 -102.51 4 3 2 45 287.451 2 ↓
Hi High (pH 8-9.5) 3.04 8.31 -50.05 3 3 1 44 286.443 2 ↓
Hi High (pH 8-9.5) 3.04 8.34 -22.75 3 3 1 43 286.443 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-aminophenyl)-1-(8-azaspiro[4.5]decan-8-yl)ethanone 2-(2-aminophenyl)-1-(8-azaspiro[…

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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) 2.79 7.54 -8.72 2 3 0 46 272.392 2 ↓

Analogs

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Popular Name: (3-amino-4-methoxy-phenyl)-(8-azaspiro[4.5]decan-8-yl)methanone (3-amino-4-methoxy-phenyl)-(8-az…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.26 5.82 -8.84 2 4 0 56 288.391 2 ↓

Parameters Provided:

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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 = 167351 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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