UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1R)-2-(9-azaspiro[5.5]undecan-9-yl)-1-cyclopropyl-ethanamine (1R)-2-(9-azaspiro[5.5]undecan-9…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.47 7.71 -124.71 4 2 2 32 238.419 3 ↓
Mid Mid (pH 6-8) 2.47 7.31 -31.29 3 2 1 30 237.411 3 ↓

Analogs

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Popular Name: (1S)-2-(9-azaspiro[5.5]undecan-9-yl)-1-cyclopropyl-ethanamine (1S)-2-(9-azaspiro[5.5]undecan-9…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.47 7.91 -125.13 4 2 2 32 238.419 3 ↓
Mid Mid (pH 6-8) 2.47 7.6 -35.35 3 2 1 30 237.411 3 ↓

Analogs

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Popular Name: (1R)-2-(3-azaspiro[5.5]undecan-3-yl)-1-cyclopropyl-N-methyl-ethanamine (1R)-2-(3-azaspiro[5.5]undecan-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) 3.38 9.13 -111.64 3 2 2 21 252.446 4 ↓
Mid Mid (pH 6-8) 3.38 7.98 -31.24 2 2 1 16 251.438 4 ↓

Analogs

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Popular Name: (1S)-2-(3-azaspiro[5.5]undecan-3-yl)-1-cyclopropyl-N-methyl-ethanamine (1S)-2-(3-azaspiro[5.5]undecan-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) 3.38 9.23 -118.55 3 2 2 21 252.446 4 ↓
Mid Mid (pH 6-8) 3.38 8.29 -31.19 2 2 1 16 251.438 4 ↓

Analogs

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Popular Name: (1R)-2-(3-azaspiro[5.5]undecan-3-yl)-1-cyclopropyl-N-ethyl-ethanamine (1R)-2-(3-azaspiro[5.5]undecan-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) 3.75 10.05 -117.56 3 2 2 21 266.473 5 ↓
Hi High (pH 8-9.5) 3.75 8.89 -31.61 2 2 1 16 265.465 5 ↓

Analogs

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Popular Name: (1S)-2-(3-azaspiro[5.5]undecan-3-yl)-1-cyclopropyl-N-ethyl-ethanamine (1S)-2-(3-azaspiro[5.5]undecan-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) 3.75 10.07 -117.65 3 2 2 21 266.473 5 ↓
Hi High (pH 8-9.5) 3.75 9.23 -31.46 2 2 1 16 265.465 5 ↓

Analogs

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Popular Name: N-[(1R)-2-(3-azaspiro[5.5]undecan-3-yl)-1-cyclopropyl-ethyl]propan-1-amine N-[(1R)-2-(3-azaspiro[5.5]undeca…

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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) 4.25 10.81 -119.79 3 2 2 21 280.5 6 ↓
Hi High (pH 8-9.5) 4.25 8.9 -32.57 2 2 1 20 279.492 6 ↓
Hi High (pH 8-9.5) 4.25 9.64 -32.05 2 2 1 16 279.492 6 ↓

Analogs

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Popular Name: N-[(1S)-2-(3-azaspiro[5.5]undecan-3-yl)-1-cyclopropyl-ethyl]propan-1-amine N-[(1S)-2-(3-azaspiro[5.5]undeca…

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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) 4.25 10.82 -119.81 3 2 2 21 280.5 6 ↓
Hi High (pH 8-9.5) 4.25 10.89 -32.74 2 2 1 20 279.492 6 ↓
Hi High (pH 8-9.5) 4.25 9.98 -31.84 2 2 1 16 279.492 6 ↓

Analogs

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Popular Name: (2S)-3-(3-azaspiro[5.5]undecan-3-yl)-2-cyclopropyl-2-(methylamino)propanenitrile (2S)-3-(3-azaspiro[5.5]undecan-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) 3.23 8.89 -39.38 2 3 1 40 276.448 4 ↓
Hi High (pH 8-9.5) 3.23 6.18 -3.16 1 3 0 39 275.44 4 ↓

Analogs

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Popular Name: (2R)-3-(3-azaspiro[5.5]undecan-3-yl)-2-cyclopropyl-2-(methylamino)propanenitrile (2R)-3-(3-azaspiro[5.5]undecan-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) 3.23 7.62 -39.46 2 3 1 40 276.448 4 ↓
Hi High (pH 8-9.5) 3.23 5.47 -4.96 1 3 0 39 275.44 4 ↓

Analogs

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Popular Name: (2R)-2-amino-3-(9-azaspiro[5.5]undecan-9-yl)-2-cyclopropyl-propanenitrile (2R)-2-amino-3-(9-azaspiro[5.5]u…

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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 7.03 -40.08 3 3 1 54 262.421 3 ↓
Hi High (pH 8-9.5) 2.86 5.71 -6.59 2 3 0 53 261.413 3 ↓

Analogs

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Popular Name: (2S)-2-amino-3-(9-azaspiro[5.5]undecan-9-yl)-2-cyclopropyl-propanenitrile (2S)-2-amino-3-(9-azaspiro[5.5]u…

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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 7.5 -45.37 3 3 1 54 262.421 3 ↓
Hi High (pH 8-9.5) 2.86 5.59 -4.7 2 3 0 53 261.413 3 ↓

Analogs

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Popular Name: (2S)-3-(3-azaspiro[5.5]undecan-3-yl)-2-cyclopropyl-2-(ethylamino)propanenitrile (2S)-3-(3-azaspiro[5.5]undecan-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) 3.61 9.74 -39.58 2 3 1 40 290.475 5 ↓
Hi High (pH 8-9.5) 3.61 7.79 -6.19 1 3 0 39 289.467 5 ↓

Analogs

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Popular Name: (2R)-3-(3-azaspiro[5.5]undecan-3-yl)-2-cyclopropyl-2-(ethylamino)propanenitrile (2R)-3-(3-azaspiro[5.5]undecan-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) 3.61 8.52 -39.39 2 3 1 40 290.475 5 ↓
Hi High (pH 8-9.5) 3.61 8.81 -2.82 1 3 0 39 289.467 5 ↓

Analogs

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Popular Name: (1R)-2-(9-azaspiro[5.5]undecan-9-yl)-1-cyclopropyl-ethanol (1R)-2-(9-azaspiro[5.5]undecan-9…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.96 6.96 -35.08 2 2 1 25 238.395 3 ↓

Analogs

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Popular Name: (1S)-2-(9-azaspiro[5.5]undecan-9-yl)-1-cyclopropyl-ethanol (1S)-2-(9-azaspiro[5.5]undecan-9…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.96 7.23 -35.24 2 2 1 25 238.395 3 ↓

Analogs

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Popular Name: (2S)-2-amino-3-(9-azaspiro[5.5]undecan-9-yl)-2-cyclopropyl-propanoic (2S)-2-amino-3-(9-azaspiro[5.5]u…

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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) 0.34 8.18 -79.61 4 4 1 72 281.42 4 ↓
Mid Mid (pH 6-8) 0.34 7.95 -45.03 3 4 0 71 280.412 4 ↓

Analogs

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Popular Name: (2R)-2-amino-3-(9-azaspiro[5.5]undecan-9-yl)-2-cyclopropyl-propanoic (2R)-2-amino-3-(9-azaspiro[5.5]u…

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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) 0.34 7.98 -74.34 4 4 1 72 281.42 4 ↓
Mid Mid (pH 6-8) 0.34 8.25 -30.87 3 4 0 71 280.412 4 ↓

Analogs

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Popular Name: (2R)-3-(3-azaspiro[5.5]undecan-3-yl)-2-cyclopropyl-2-(methylamino)propanoic (2R)-3-(3-azaspiro[5.5]undecan-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) 0.71 9.46 -68.95 3 4 1 61 295.447 5 ↓
Mid Mid (pH 6-8) 0.71 9.34 -38.99 2 4 0 57 294.439 5 ↓

Analogs

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Popular Name: (2S)-3-(3-azaspiro[5.5]undecan-3-yl)-2-cyclopropyl-2-(methylamino)propanoic (2S)-3-(3-azaspiro[5.5]undecan-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) 0.71 9.91 -76 3 4 1 61 295.447 5 ↓
Mid Mid (pH 6-8) 0.71 9.43 -31.42 2 4 0 57 294.439 5 ↓

Analogs

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Popular Name: (2S)-2-amino-3-(9-azaspiro[5.5]undecan-9-yl)-2-cyclopropyl-propanamide (2S)-2-amino-3-(9-azaspiro[5.5]u…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.80 4.76 -35.01 5 4 1 74 280.436 4 ↓

Analogs

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Popular Name: (2R)-2-amino-3-(9-azaspiro[5.5]undecan-9-yl)-2-cyclopropyl-propanamide (2R)-2-amino-3-(9-azaspiro[5.5]u…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.80 3.92 -35.69 5 4 1 74 280.436 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) 2.94 8.55 -34.13 3 4 1 57 295.447 5 ↓
Hi High (pH 8-9.5) 2.94 5.76 -3.53 2 4 0 56 294.439 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) 2.94 7.9 -37.06 3 4 1 57 295.447 5 ↓
Hi High (pH 8-9.5) 2.94 5.83 -4.08 2 4 0 56 294.439 5 ↓

Analogs

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Popular Name: (2R)-3-(3-azaspiro[5.5]undecan-3-yl)-2-cyclopropyl-2-(methylamino)propanamide (2R)-3-(3-azaspiro[5.5]undecan-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) 2.18 5.7 -30.42 4 4 1 60 294.463 5 ↓

Analogs

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Popular Name: (2S)-3-(3-azaspiro[5.5]undecan-3-yl)-2-cyclopropyl-2-(methylamino)propanamide (2S)-3-(3-azaspiro[5.5]undecan-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) 2.18 6.35 -38.05 4 4 1 60 294.463 5 ↓

Analogs

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Popular Name: (2S)-3-(3-azaspiro[5.5]undecan-3-yl)-2-cyclopropyl-2-(methylamino)propan-1-ol (2S)-3-(3-azaspiro[5.5]undecan-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) 2.82 7.08 -28.79 3 3 1 37 281.464 5 ↓
Mid Mid (pH 6-8) 2.82 6.5 -110.84 4 3 2 41 282.472 5 ↓

Analogs

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Popular Name: (2R)-3-(3-azaspiro[5.5]undecan-3-yl)-2-cyclopropyl-2-(methylamino)propan-1-ol (2R)-3-(3-azaspiro[5.5]undecan-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) 2.82 6.17 -30.02 3 3 1 37 281.464 5 ↓
Mid Mid (pH 6-8) 2.82 5.97 -102.61 4 3 2 41 282.472 5 ↓

Analogs

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Popular Name: (2S)-3-(3-azaspiro[5.5]undecan-3-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol (2S)-3-(3-azaspiro[5.5]undecan-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) 3.19 7.4 -105.95 4 3 2 41 296.499 6 ↓
Mid Mid (pH 6-8) 3.19 7.9 -29.02 3 3 1 37 295.491 6 ↓

Analogs

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Popular Name: (2R)-3-(3-azaspiro[5.5]undecan-3-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol (2R)-3-(3-azaspiro[5.5]undecan-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) 3.19 6.83 -102.64 4 3 2 41 296.499 6 ↓
Mid Mid (pH 6-8) 3.19 7 -30.14 3 3 1 37 295.491 6 ↓

Parameters Provided:

ring.id = 269633
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 = 269633 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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