UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S)-2-(8-azaspiro[4.5]decan-8-yl)-2-cyclopentyl-ethanamine (2S)-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) 2.80 7.59 -127.6 4 2 2 32 252.446 3 ↓
Mid Mid (pH 6-8) 2.80 7.94 -29.39 3 2 1 30 251.438 3 ↓

Analogs

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Popular Name: (2R)-2-(8-azaspiro[4.5]decan-8-yl)-2-cyclopentyl-ethanamine (2R)-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) 2.80 7.48 -126.76 4 2 2 32 252.446 3 ↓
Mid Mid (pH 6-8) 2.80 7.94 -32.79 3 2 1 30 251.438 3 ↓

Analogs

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Popular Name: 1-(8-azaspiro[4.5]decan-8-ylmethyl)cyclopentanecarbaldehyde 1-(8-azaspiro[4.5]decan-8-ylmeth…

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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 9.53 -43.26 1 2 1 22 250.406 3 ↓
Hi High (pH 8-9.5) 3.53 7.75 -3.37 0 2 0 20 249.398 3 ↓

Analogs

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Popular Name: 1-[1-(8-azaspiro[4.5]decan-8-ylmethyl)cyclopentyl]-N-methyl-methanamine 1-[1-(8-azaspiro[4.5]decan-8-ylm…

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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) 3.50 10.05 -105.77 3 2 2 21 266.473 4 ↓
Hi High (pH 8-9.5) 3.50 8.76 -34.08 2 2 1 16 265.465 4 ↓
Hi High (pH 8-9.5) 3.50 8.44 -35.39 2 2 1 20 265.465 4 ↓

Analogs

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Popular Name: N-[[1-(8-azaspiro[4.5]decan-8-ylmethyl)cyclopentyl]methyl]ethanamine N-[[1-(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) 3.52 10.92 -106.55 3 2 2 21 280.5 5 ↓
Hi High (pH 8-9.5) 3.52 9.31 -34.22 2 2 1 20 279.492 5 ↓
Hi High (pH 8-9.5) 3.52 9.69 -34.29 2 2 1 16 279.492 5 ↓

Analogs

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Popular Name: [1-(8-azaspiro[4.5]decan-8-ylmethyl)cyclopentyl]methanamine [1-(8-azaspiro[4.5]decan-8-ylmet…

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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) 2.52 8.02 -111.81 4 2 2 32 252.446 3 ↓
Hi High (pH 8-9.5) 2.52 7.71 -33.24 3 2 1 30 251.438 3 ↓
Hi High (pH 8-9.5) 2.52 6.43 -40.76 3 2 1 31 251.438 3 ↓

Analogs

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Popular Name: (1R,2R)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-N-ethyl-cyclopentanamine (1R,2R)-2-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.65 10.38 -109.99 3 2 2 21 266.473 4 ↓
Hi High (pH 8-9.5) 3.65 9.27 -34.49 2 2 1 16 265.465 4 ↓
Hi High (pH 8-9.5) 3.65 8.21 -35.68 2 2 1 20 265.465 4 ↓

Analogs

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Popular Name: (1S,2R)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-N-ethyl-cyclopentanamine (1S,2R)-2-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.65 10.01 -104.57 3 2 2 21 266.473 4 ↓
Hi High (pH 8-9.5) 3.65 8.88 -33.32 2 2 1 16 265.465 4 ↓
Hi High (pH 8-9.5) 3.65 7.84 -35.69 2 2 1 20 265.465 4 ↓

Analogs

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Popular Name: (1R,2S)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-N-ethyl-cyclopentanamine (1R,2S)-2-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.65 10.04 -106.4 3 2 2 21 266.473 4 ↓
Hi High (pH 8-9.5) 3.65 8.9 -36.25 2 2 1 16 265.465 4 ↓
Hi High (pH 8-9.5) 3.65 7.87 -35.87 2 2 1 20 265.465 4 ↓

Analogs

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Popular Name: (1S,2S)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-N-ethyl-cyclopentanamine (1S,2S)-2-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.65 10.37 -109.71 3 2 2 21 266.473 4 ↓
Hi High (pH 8-9.5) 3.65 9.61 -32.12 2 2 1 16 265.465 4 ↓
Hi High (pH 8-9.5) 3.65 8.2 -35.55 2 2 1 20 265.465 4 ↓

Analogs

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Popular Name: (1R,2R)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-N-propyl-cyclopentanamine (1R,2R)-2-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.16 11.14 -112.3 3 2 2 21 280.5 5 ↓
Hi High (pH 8-9.5) 4.16 10.04 -34.77 2 2 1 16 279.492 5 ↓
Hi High (pH 8-9.5) 4.16 8.97 -36.48 2 2 1 20 279.492 5 ↓

Analogs

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Popular Name: (1S,2R)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-N-propyl-cyclopentanamine (1S,2R)-2-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.16 10.76 -106.49 3 2 2 21 280.5 5 ↓
Hi High (pH 8-9.5) 4.16 9.63 -33.37 2 2 1 16 279.492 5 ↓
Hi High (pH 8-9.5) 4.16 8.59 -36.58 2 2 1 20 279.492 5 ↓

Analogs

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Popular Name: (1R,2S)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-N-propyl-cyclopentanamine (1R,2S)-2-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.16 10.79 -108.88 3 2 2 21 280.5 5 ↓
Hi High (pH 8-9.5) 4.16 9.66 -36.49 2 2 1 16 279.492 5 ↓
Hi High (pH 8-9.5) 4.16 8.6 -37.01 2 2 1 20 279.492 5 ↓

Analogs

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Popular Name: (1S,2S)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-N-propyl-cyclopentanamine (1S,2S)-2-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.16 11.13 -112 3 2 2 21 280.5 5 ↓
Hi High (pH 8-9.5) 4.16 10.37 -32.39 2 2 1 16 279.492 5 ↓
Hi High (pH 8-9.5) 4.16 8.96 -36.34 2 2 1 20 279.492 5 ↓

Analogs

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Popular Name: (1S,2S)-2-(8-azaspiro[4.5]decan-8-ylmethyl)cyclopentanamine (1S,2S)-2-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.37 7.58 -116.73 4 2 2 32 238.419 2 ↓
Hi High (pH 8-9.5) 2.37 5.49 -42.64 3 2 1 31 237.411 2 ↓
Mid Mid (pH 6-8) 2.37 7.33 -32.87 3 2 1 30 237.411 2 ↓

Analogs

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Popular Name: (1S,2R)-2-(8-azaspiro[4.5]decan-8-ylmethyl)cyclopentanamine (1S,2R)-2-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.37 7.41 -110.06 4 2 2 32 238.419 2 ↓
Hi High (pH 8-9.5) 2.37 5.45 -42.45 3 2 1 31 237.411 2 ↓
Mid Mid (pH 6-8) 2.37 7.1 -34.93 3 2 1 30 237.411 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(8-azaspiro[4.5]decan-8-ylmethyl)cyclopentanamine (1R,2S)-2-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.37 7.38 -110 4 2 2 32 238.419 2 ↓
Hi High (pH 8-9.5) 2.37 5.29 -42.29 3 2 1 31 237.411 2 ↓
Mid Mid (pH 6-8) 2.37 7.08 -33.24 3 2 1 30 237.411 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(8-azaspiro[4.5]decan-8-ylmethyl)cyclopentanamine (1R,2R)-2-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.37 7.57 -116.74 4 2 2 32 238.419 2 ↓
Hi High (pH 8-9.5) 2.37 5.43 -42.58 3 2 1 31 237.411 2 ↓
Mid Mid (pH 6-8) 2.37 7.33 -32.39 3 2 1 30 237.411 2 ↓

Analogs

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Popular Name: (1R,2R)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-N-methyl-cyclopentanamine (1R,2R)-2-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.28 9.53 -110.51 3 2 2 21 252.446 3 ↓
Hi High (pH 8-9.5) 3.28 7.37 -36.95 2 2 1 20 251.438 3 ↓
Mid Mid (pH 6-8) 3.28 8.34 -34.4 2 2 1 16 251.438 3 ↓

Analogs

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Popular Name: (1S,2R)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-N-methyl-cyclopentanamine (1S,2R)-2-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.28 9.16 -104.67 3 2 2 21 252.446 3 ↓
Hi High (pH 8-9.5) 3.28 7 -37.05 2 2 1 20 251.438 3 ↓
Mid Mid (pH 6-8) 3.28 7.95 -33.2 2 2 1 16 251.438 3 ↓

Analogs

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Popular Name: (1R,2S)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-N-methyl-cyclopentanamine (1R,2S)-2-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.28 9.19 -107.06 3 2 2 21 252.446 3 ↓
Hi High (pH 8-9.5) 3.28 7 -37.48 2 2 1 20 251.438 3 ↓
Mid Mid (pH 6-8) 3.28 7.96 -36.28 2 2 1 16 251.438 3 ↓

Analogs

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Popular Name: (1S,2S)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-N-methyl-cyclopentanamine (1S,2S)-2-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.28 9.54 -110.74 3 2 2 21 252.446 3 ↓
Hi High (pH 8-9.5) 3.28 7.38 -37.11 2 2 1 20 251.438 3 ↓
Mid Mid (pH 6-8) 3.28 8.72 -32.16 2 2 1 16 251.438 3 ↓

Analogs

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Popular Name: 1-(8-azaspiro[4.5]decan-8-ylmethyl)cyclopentanecarboxylic 1-(8-azaspiro[4.5]decan-8-ylmeth…

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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 10.36 -36.71 1 3 0 45 265.397 3 ↓

Analogs

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Popular Name: [1-(8-azaspiro[4.5]decan-8-ylmethyl)cyclopentyl]methanol [1-(8-azaspiro[4.5]decan-8-ylmet…

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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) 3.08 7.34 -36.77 2 2 1 25 252.422 3 ↓

Analogs

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Popular Name: (1S,2S)-2-(8-azaspiro[4.5]decan-8-ylmethyl)cyclopentanol (1S,2S)-2-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.86 6.97 -31.7 2 2 1 25 238.395 2 ↓

Analogs

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Popular Name: (1S,2R)-2-(8-azaspiro[4.5]decan-8-ylmethyl)cyclopentanol (1S,2R)-2-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.86 6.78 -34.71 2 2 1 25 238.395 2 ↓

Analogs

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Popular Name: (1R,2S)-2-(8-azaspiro[4.5]decan-8-ylmethyl)cyclopentanol (1R,2S)-2-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.86 6.75 -35.45 2 2 1 25 238.395 2 ↓

Analogs

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Popular Name: (1R,2R)-2-(8-azaspiro[4.5]decan-8-ylmethyl)cyclopentanol (1R,2R)-2-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.86 6.95 -32.35 2 2 1 25 238.395 2 ↓

Analogs

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Popular Name: 1-(8-azaspiro[4.5]decan-8-ylmethyl)cyclopentanamine 1-(8-azaspiro[4.5]decan-8-ylmeth…

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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) 3.11 7.38 -121.12 4 2 2 32 238.419 2 ↓
Mid Mid (pH 6-8) 3.11 7.15 -32.32 3 2 1 30 237.411 2 ↓

Parameters Provided:

ring.id = 317636
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 = 317636 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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