UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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: (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: (2S)-1-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-propan-2-amine (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) 2.94 7.75 -116.61 4 2 2 32 238.419 3 ↓
Mid Mid (pH 6-8) 2.94 8.19 -30.54 3 2 1 30 237.411 3 ↓

Analogs

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Popular Name: (2R)-1-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-propan-2-amine (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) 2.94 7.28 -112.08 4 2 2 32 238.419 3 ↓
Mid Mid (pH 6-8) 2.94 7.01 -32.84 3 2 1 30 237.411 3 ↓

Analogs

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Popular Name: (2S)-2-amino-3-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-propanoic (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) -0.17 7.92 -73.32 4 4 1 72 267.393 4 ↓
Mid Mid (pH 6-8) -0.17 8.2 -32.3 3 4 0 71 266.385 4 ↓

Analogs

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Popular Name: (2R)-2-amino-3-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-propanoic (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) -0.17 7.91 -74.2 4 4 1 72 267.393 4 ↓
Mid Mid (pH 6-8) -0.17 7.73 -38.27 3 4 0 71 266.385 4 ↓

Analogs

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Popular Name: (2R)-3-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-2-(ethylamino)propanoic (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) 0.58 10.24 -66.26 3 4 1 61 295.447 6 ↓
Hi High (pH 8-9.5) 0.58 9.22 -33.44 2 4 0 57 294.439 6 ↓

Analogs

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Popular Name: (2S)-3-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-2-(ethylamino)propanoic (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) 0.58 9.89 -65.69 3 4 1 61 295.447 6 ↓
Hi High (pH 8-9.5) 0.58 10 -32.08 2 4 0 57 294.439 6 ↓

Analogs

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Popular Name: (2R)-3-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-2-(methylamino)propanoic (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) 0.21 9.12 -68.39 3 4 1 61 281.42 5 ↓
Mid Mid (pH 6-8) 0.21 8.35 -33.2 2 4 0 57 280.412 5 ↓

Analogs

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Popular Name: (2S)-3-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-2-(methylamino)propanoic (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) 0.21 9.24 -70.04 3 4 1 61 281.42 5 ↓
Mid Mid (pH 6-8) 0.21 9.16 -32.05 2 4 0 57 280.412 5 ↓

Analogs

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Popular Name: (2S)-2-amino-3-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-propanamide (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) 1.30 3.72 -43.26 5 4 1 74 266.409 4 ↓

Analogs

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Popular Name: (2R)-2-amino-3-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-propanamide (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) 1.30 4.24 -32.02 5 4 1 74 266.409 4 ↓

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) 2.43 8.21 -33.53 3 4 1 57 281.42 5 ↓
Hi High (pH 8-9.5) 2.43 6.31 -3.57 2 4 0 56 280.412 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) 2.43 7.55 -36.5 3 4 1 57 281.42 5 ↓
Hi High (pH 8-9.5) 2.43 5.71 -4.23 2 4 0 56 280.412 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.81 9.14 -33.24 3 4 1 57 295.447 6 ↓
Hi High (pH 8-9.5) 2.81 6.8 -3.22 2 4 0 56 294.439 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.81 8.47 -36.23 3 4 1 57 295.447 6 ↓
Hi High (pH 8-9.5) 2.81 7.24 -3.2 2 4 0 56 294.439 6 ↓

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) 2.80 7.93 -32.27 2 4 1 43 295.447 6 ↓
Hi High (pH 8-9.5) 2.80 6.96 -4.63 1 4 0 42 294.439 6 ↓

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) 2.80 9.66 -6.23 2 4 0 43 295.447 6 ↓
Hi High (pH 8-9.5) 2.80 6.39 -3.63 1 4 0 42 294.439 6 ↓

Analogs

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Popular Name: (2R)-3-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-2-(ethylamino)propanamide (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) 2.05 5.24 -34.77 4 4 1 60 294.463 6 ↓

Analogs

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Popular Name: (2S)-3-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-2-(ethylamino)propanamide (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) 2.05 6.77 -37.24 4 4 1 60 294.463 6 ↓

Analogs

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Popular Name: (2R)-3-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-2-(methylamino)propanamide (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) 1.67 4.34 -34.74 4 4 1 60 280.436 5 ↓

Analogs

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Popular Name: (2S)-3-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-2-(methylamino)propanamide (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) 1.67 5.98 -37.33 4 4 1 60 280.436 5 ↓

Analogs

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Popular Name: (2S)-3-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-2-(propylamino)propan-1-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) 3.19 7.81 -106.05 4 3 2 41 296.499 7 ↓
Mid Mid (pH 6-8) 3.19 8.31 -28.86 3 3 1 37 295.491 7 ↓

Analogs

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Popular Name: (2R)-3-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-2-(propylamino)propan-1-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) 3.19 6.97 -103.09 4 3 2 41 296.499 7 ↓
Mid Mid (pH 6-8) 3.19 7.41 -29.95 3 3 1 37 295.491 7 ↓

Analogs

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Popular Name: (2S)-3-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-2-(isopropylamino)propan-1-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) 2.98 6.78 -99.68 4 3 2 41 296.499 6 ↓
Mid Mid (pH 6-8) 2.98 7.41 -29.57 3 3 1 37 295.491 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-2-(isopropylamino)propan-1-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) 2.98 6.81 -100.35 4 3 2 41 296.499 6 ↓
Mid Mid (pH 6-8) 2.98 7.63 -28.48 3 3 1 37 295.491 6 ↓

Analogs

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Popular Name: (2S)-3-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-2-(ethylamino)propan-1-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) 2.68 7.05 -104.26 4 3 2 41 282.472 6 ↓
Mid Mid (pH 6-8) 2.68 7.56 -28.64 3 3 1 37 281.464 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-2-(ethylamino)propan-1-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) 2.68 6.22 -101.34 4 3 2 41 282.472 6 ↓
Mid Mid (pH 6-8) 2.68 6.65 -29.61 3 3 1 37 281.464 6 ↓

Parameters Provided:

ring.id = 245348
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 = 245348 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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