UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-4-(chloromethyl)thiazole 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) 3.79 8.65 -4.77 0 2 0 16 270.829 2 ↓

Analogs

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Popular Name: 1-[2-(8-azaspiro[4.5]decan-8-yl)thiazol-5-yl]ethanone 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) 3.12 8.17 -8.74 0 3 0 33 264.394 2 ↓

Analogs

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Popular Name: 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-thiazol-5-yl]ethanone 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) 3.34 8.78 -7.39 0 3 0 33 278.421 2 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)thiazole-5-carbaldehyde 2-(8-azaspiro[4.5]decan-8-yl)thi…

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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) 3.01 7.39 -7.36 0 3 0 33 250.367 2 ↓

Analogs

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Popular Name: (1R)-1-[2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-thiazol-5-yl]-N-methyl-ethanamine (1R)-1-[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) 3.56 8.57 -38.12 2 3 1 33 294.488 3 ↓
Hi High (pH 8-9.5) 3.56 7.29 -5.06 1 3 0 28 293.48 3 ↓

Analogs

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Popular Name: (1S)-1-[2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-thiazol-5-yl]-N-methyl-ethanamine (1S)-1-[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) 3.56 8.59 -38.12 2 3 1 33 294.488 3 ↓
Hi High (pH 8-9.5) 3.56 7.28 -4.33 1 3 0 28 293.48 3 ↓

Analogs

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Popular Name: (1S)-1-[2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-thiazol-5-yl]-N-ethyl-ethanamine (1S)-1-[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) 3.93 9.41 -36.8 2 3 1 33 308.515 4 ↓
Hi High (pH 8-9.5) 3.93 8.22 -4.83 1 3 0 28 307.507 4 ↓

Analogs

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Popular Name: (1R)-1-[2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-thiazol-5-yl]-N-ethyl-ethanamine (1R)-1-[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) 3.93 9.42 -36.56 2 3 1 33 308.515 4 ↓
Hi High (pH 8-9.5) 3.93 8.22 -4.07 1 3 0 28 307.507 4 ↓

Analogs

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Popular Name: 1-[2-(8-azaspiro[4.5]decan-8-yl)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) 2.78 7.56 -39.1 2 3 1 33 266.434 3 ↓
Hi High (pH 8-9.5) 2.78 6.11 -4.38 1 3 0 28 265.426 3 ↓

Analogs

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Popular Name: N-[[2-(8-azaspiro[4.5]decan-8-yl)thiazol-5-yl]methyl]ethanamine N-[[2-(8-azaspiro[4.5]decan-8-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.15 8.42 -38.14 2 3 1 33 280.461 4 ↓
Hi High (pH 8-9.5) 3.15 7.04 -4.24 1 3 0 28 279.453 4 ↓

Analogs

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Popular Name: N-[[2-(8-azaspiro[4.5]decan-8-yl)thiazol-5-yl]methyl]propan-1-amine N-[[2-(8-azaspiro[4.5]decan-8-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.66 9.17 -38.9 2 3 1 33 294.488 5 ↓
Hi High (pH 8-9.5) 3.66 7.81 -4.14 1 3 0 28 293.48 5 ↓

Analogs

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Popular Name: N-[[2-(8-azaspiro[4.5]decan-8-yl)thiazol-5-yl]methyl]propan-2-amine N-[[2-(8-azaspiro[4.5]decan-8-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.45 8.95 -36.45 2 3 1 33 294.488 4 ↓
Hi High (pH 8-9.5) 3.45 7.74 -4.06 1 3 0 28 293.48 4 ↓

Analogs

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Popular Name: N-[[2-(8-azaspiro[4.5]decan-8-yl)thiazol-5-yl]methyl]-2-methyl-propan-2-amine N-[[2-(8-azaspiro[4.5]decan-8-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.96 9.37 -34.64 2 3 1 33 308.515 4 ↓
Hi High (pH 8-9.5) 3.96 8.12 -3.97 1 3 0 28 307.507 4 ↓

Analogs

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Popular Name: N-[[2-(8-azaspiro[4.5]decan-8-yl)thiazol-5-yl]methyl]-2-methyl-propan-1-amine N-[[2-(8-azaspiro[4.5]decan-8-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.90 9.86 -38.84 2 3 1 33 308.515 5 ↓
Hi High (pH 8-9.5) 3.90 8.49 -3.99 1 3 0 28 307.507 5 ↓

Analogs

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Popular Name: N-[[2-(8-azaspiro[4.5]decan-8-yl)thiazol-5-yl]methyl]-2-methoxy-ethanamine N-[[2-(8-azaspiro[4.5]decan-8-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.76 7.55 -38.62 2 4 1 42 310.487 6 ↓
Mid Mid (pH 6-8) 2.76 6.2 -5.31 1 4 0 37 309.479 6 ↓

Analogs

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Popular Name: (1S)-1-[2-(8-azaspiro[4.5]decan-8-yl)thiazol-5-yl]-N-methyl-ethanamine (1S)-1-[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) 3.34 8.09 -37.69 2 3 1 33 280.461 3 ↓
Hi High (pH 8-9.5) 3.34 6.82 -3.73 1 3 0 28 279.453 3 ↓

Analogs

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Popular Name: (1R)-1-[2-(8-azaspiro[4.5]decan-8-yl)thiazol-5-yl]-N-methyl-ethanamine (1R)-1-[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) 3.34 8.09 -37.74 2 3 1 33 280.461 3 ↓
Hi High (pH 8-9.5) 3.34 6.84 -4.58 1 3 0 28 279.453 3 ↓

Analogs

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Popular Name: (1S)-1-[2-(8-azaspiro[4.5]decan-8-yl)thiazol-5-yl]-N-ethyl-ethanamine (1S)-1-[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) 3.71 8.94 -36.27 2 3 1 33 294.488 4 ↓
Hi High (pH 8-9.5) 3.71 7.77 -4.44 1 3 0 28 293.48 4 ↓

Analogs

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Popular Name: (1R)-1-[2-(8-azaspiro[4.5]decan-8-yl)thiazol-5-yl]-N-ethyl-ethanamine (1R)-1-[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) 3.71 8.94 -36.28 2 3 1 33 294.488 4 ↓
Hi High (pH 8-9.5) 3.71 7.74 -3.6 1 3 0 28 293.48 4 ↓

Analogs

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Popular Name: N-[(1S)-1-[2-(8-azaspiro[4.5]decan-8-yl)thiazol-5-yl]ethyl]propan-1-amine N-[(1S)-1-[2-(8-azaspiro[4.5]dec…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.21 9.7 -36.92 2 3 1 33 308.515 5 ↓
Hi High (pH 8-9.5) 4.21 8.53 -4.35 1 3 0 28 307.507 5 ↓

Analogs

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Popular Name: N-[(1R)-1-[2-(8-azaspiro[4.5]decan-8-yl)thiazol-5-yl]ethyl]propan-1-amine N-[(1R)-1-[2-(8-azaspiro[4.5]dec…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.21 9.7 -37.09 2 3 1 33 308.515 5 ↓
Hi High (pH 8-9.5) 4.21 8.49 -3.49 1 3 0 28 307.507 5 ↓

Analogs

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Popular Name: (1R)-1-[2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-thiazol-5-yl]ethanamine (1R)-1-[2-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.31 6.86 -43.41 3 3 1 44 280.461 2 ↓
Mid Mid (pH 6-8) 1.31 6.52 -4.34 2 3 0 42 279.453 2 ↓

Analogs

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Popular Name: (1S)-1-[2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-thiazol-5-yl]ethanamine (1S)-1-[2-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.31 6.87 -43.27 3 3 1 44 280.461 2 ↓
Mid Mid (pH 6-8) 1.31 6.54 -5.31 2 3 0 42 279.453 2 ↓

Analogs

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Popular Name: [2-(8-azaspiro[4.5]decan-8-yl)thiazol-5-yl]methanamine [2-(8-azaspiro[4.5]decan-8-yl)th…

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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) 2.40 5.68 -44.57 3 3 1 44 252.407 2 ↓
Mid Mid (pH 6-8) 2.40 5.28 -4.92 2 3 0 42 251.399 2 ↓

Analogs

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Popular Name: (1S)-1-[2-(8-azaspiro[4.5]decan-8-yl)thiazol-5-yl]ethanamine (1S)-1-[2-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.08 6.35 -43 3 3 1 44 266.434 2 ↓
Mid Mid (pH 6-8) 1.08 6.03 -4.84 2 3 0 42 265.426 2 ↓

Analogs

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Popular Name: (1R)-1-[2-(8-azaspiro[4.5]decan-8-yl)thiazol-5-yl]ethanamine (1R)-1-[2-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.08 6.35 -43.09 3 3 1 44 266.434 2 ↓
Mid Mid (pH 6-8) 1.08 6.01 -4.53 2 3 0 42 265.426 2 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)thiazole-5-carboxylic 2-(8-azaspiro[4.5]decan-8-yl)thi…

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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 8.26 -50 0 4 -1 56 265.358 2 ↓
Lo Low (pH 4.5-6) 2.79 8.67 -39.45 1 4 0 58 266.366 2 ↓

Analogs

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Popular Name: (1R)-1-[2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-thiazol-5-yl]ethanol (1R)-1-[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) 3.00 6.24 -7.15 1 3 0 36 280.437 2 ↓
Lo Low (pH 4.5-6) 3.00 6.64 -24.27 2 3 1 38 281.445 2 ↓

Analogs

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Popular Name: (1S)-1-[2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-thiazol-5-yl]ethanol (1S)-1-[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) 3.00 6.25 -7.09 1 3 0 36 280.437 2 ↓
Lo Low (pH 4.5-6) 3.00 6.65 -24.36 2 3 1 38 281.445 2 ↓

Analogs

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Popular Name: [2-(8-azaspiro[4.5]decan-8-yl)thiazol-5-yl]methanol [2-(8-azaspiro[4.5]decan-8-yl)th…

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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) 2.56 4.94 -6.95 1 3 0 36 252.383 2 ↓
Lo Low (pH 4.5-6) 2.56 5.39 -26.37 2 3 1 38 253.391 2 ↓

Analogs

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Popular Name: (1S)-1-[2-(8-azaspiro[4.5]decan-8-yl)thiazol-5-yl]ethanol (1S)-1-[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) 2.78 5.78 -5.35 1 3 0 36 266.41 2 ↓
Lo Low (pH 4.5-6) 2.78 6.21 -27.03 2 3 1 38 267.418 2 ↓

Analogs

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Popular Name: (1R)-1-[2-(8-azaspiro[4.5]decan-8-yl)thiazol-5-yl]ethanol (1R)-1-[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) 2.78 5.77 -5.31 1 3 0 36 266.41 2 ↓
Lo Low (pH 4.5-6) 2.78 6.18 -26.93 2 3 1 38 267.418 2 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-4-ethyl-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) 3.80 8.67 -8.2 0 3 0 33 278.421 3 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-4-propyl-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) 4.30 9.45 -7.87 0 3 0 33 292.448 4 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-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) 3.23 7.94 -8.65 0 3 0 33 264.394 2 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-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) 3.01 8.75 -50.19 0 4 -1 56 279.385 2 ↓
Mid Mid (pH 6-8) 3.01 9.13 -38.21 1 4 0 58 280.393 2 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-4-ethyl-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) 3.58 9.47 -50.54 0 4 -1 56 293.412 3 ↓
Mid Mid (pH 6-8) 3.58 9.81 -38.05 1 4 0 58 294.42 3 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-4-propyl-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) 4.09 10.24 -51.13 0 4 -1 56 307.439 4 ↓
Mid Mid (pH 6-8) 4.09 10.59 -38.13 1 4 0 58 308.447 4 ↓

Analogs

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Popular Name: [2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-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) 2.62 6.19 -45.16 3 3 1 44 266.434 2 ↓
Mid Mid (pH 6-8) 2.62 5.79 -5.15 2 3 0 42 265.426 2 ↓

Analogs

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Popular Name: [2-(8-azaspiro[4.5]decan-8-yl)-4-tert-butyl-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) 4.35 8.07 -44.97 3 3 1 44 308.515 3 ↓
Mid Mid (pH 6-8) 4.35 7.76 -4.75 2 3 0 42 307.507 3 ↓

Analogs

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Popular Name: [2-(8-azaspiro[4.5]decan-8-yl)-4-ethyl-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) 3.20 6.98 -45.27 3 3 1 44 280.461 3 ↓
Mid Mid (pH 6-8) 3.20 6.52 -4.92 2 3 0 42 279.453 3 ↓

Analogs

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Popular Name: [2-(8-azaspiro[4.5]decan-8-yl)-4-propyl-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) 3.70 7.76 -45.53 3 3 1 44 294.488 4 ↓
Mid Mid (pH 6-8) 3.70 7.37 -4.98 2 3 0 42 293.48 4 ↓

Analogs

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Popular Name: 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-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) 3.00 8.06 -39.55 2 3 1 33 280.461 3 ↓
Hi High (pH 8-9.5) 3.00 6.62 -4.71 1 3 0 28 279.453 3 ↓

Analogs

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Popular Name: N-[[2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-thiazol-5-yl]methyl]ethanamine N-[[2-(8-azaspiro[4.5]decan-8-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.38 8.95 -38.75 2 3 1 33 294.488 4 ↓
Hi High (pH 8-9.5) 3.38 7.58 -4.37 1 3 0 28 293.48 4 ↓

Analogs

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Popular Name: N-[[2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-thiazol-5-yl]methyl]propan-1-amine N-[[2-(8-azaspiro[4.5]decan-8-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.88 9.7 -39.49 2 3 1 33 308.515 5 ↓
Hi High (pH 8-9.5) 3.88 8.34 -4.24 1 3 0 28 307.507 5 ↓

Analogs

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Popular Name: N-[[2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-thiazol-5-yl]methyl]propan-2-amine N-[[2-(8-azaspiro[4.5]decan-8-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.67 9.44 -36.72 2 3 1 33 308.515 4 ↓
Hi High (pH 8-9.5) 3.67 8.26 -4.43 1 3 0 28 307.507 4 ↓

Analogs

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Popular Name: 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-ethyl-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) 3.57 8.85 -39.57 2 3 1 33 294.488 4 ↓
Hi High (pH 8-9.5) 3.57 7.41 -4.57 1 3 0 28 293.48 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(8-azaspiro[4.5]decan-8-yl)-4-ethyl-thiazol-5-yl]methyl]ethanamine N-[[2-(8-azaspiro[4.5]decan-8-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.95 9.72 -38.43 2 3 1 33 308.515 5 ↓
Hi High (pH 8-9.5) 3.95 8.34 -4.36 1 3 0 28 307.507 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-propyl-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) 4.07 9.63 -39.9 2 3 1 33 308.515 5 ↓
Hi High (pH 8-9.5) 4.07 8.19 -4.41 1 3 0 28 307.507 5 ↓

Analogs

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Popular Name: [2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-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) 2.78 5.46 -7.35 1 3 0 36 266.41 2 ↓
Mid Mid (pH 6-8) 2.78 5.86 -24.73 2 3 1 38 267.418 2 ↓

Parameters Provided:

ring.id = 318700
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 = 318700 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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