UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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) 4.36 8.64 -7.78 0 4 0 42 302.827 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) 2.22 5.64 -14.79 1 6 0 72 331.825 5 ↓

Analogs

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Popular Name: N-methyl-1-(1-thiazol-2-yl-4-piperidyl)methanamine N-methyl-1-(1-thiazol-2-yl-4-pip…

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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) 1.65 5.25 -45.32 2 3 1 33 212.342 3 ↓
Lo Low (pH 4.5-6) 1.65 5.68 -81.51 3 3 2 34 213.35 3 ↓

Analogs

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Popular Name: N-methyl-1-[1-(4-methylthiazol-2-yl)-4-piperidyl]methanamine N-methyl-1-[1-(4-methylthiazol-2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.87 5.84 -46.6 2 3 1 33 226.369 3 ↓
Mid Mid (pH 6-8) 1.87 6.24 -80.44 3 3 2 34 227.377 3 ↓

Analogs

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Popular Name: N-[(1-thiazol-2-yl-4-piperidyl)methyl]ethanamine N-[(1-thiazol-2-yl-4-piperidyl)m…

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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) 1.68 6.12 -44.53 2 3 1 33 226.369 4 ↓
Lo Low (pH 4.5-6) 1.68 6.55 -81.38 3 3 2 34 227.377 4 ↓

Analogs

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Popular Name: N-[[1-(4-methylthiazol-2-yl)-4-piperidyl]methyl]ethanamine N-[[1-(4-methylthiazol-2-yl)-4-p…

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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) 1.90 6.72 -45.67 2 3 1 33 240.396 4 ↓
Mid Mid (pH 6-8) 1.90 7.11 -80.24 3 3 2 34 241.404 4 ↓

Analogs

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Popular Name: N-[(1-thiazol-2-yl-4-piperidyl)methyl]propan-1-amine N-[(1-thiazol-2-yl-4-piperidyl)m…

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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 6.87 -45.53 2 3 1 33 240.396 5 ↓
Lo Low (pH 4.5-6) 2.18 7.3 -82.93 3 3 2 34 241.404 5 ↓

Analogs

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Popular Name: N-[[1-(4-methylthiazol-2-yl)-4-piperidyl]methyl]propan-1-amine N-[[1-(4-methylthiazol-2-yl)-4-p…

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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 7.47 -46.74 2 3 1 33 254.423 5 ↓
Mid Mid (pH 6-8) 2.40 7.87 -81.89 3 3 2 34 255.431 5 ↓

Analogs

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Popular Name: N-[(1-thiazol-2-yl-4-piperidyl)methyl]propan-2-amine N-[(1-thiazol-2-yl-4-piperidyl)m…

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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) 2.33 6.63 -43.19 2 3 1 33 240.396 4 ↓
Lo Low (pH 4.5-6) 2.33 7.07 -80.69 3 3 2 34 241.404 4 ↓

Analogs

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Popular Name: N-[[1-(4-methylthiazol-2-yl)-4-piperidyl]methyl]propan-2-amine N-[[1-(4-methylthiazol-2-yl)-4-p…

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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) 2.55 7.22 -44.57 2 3 1 33 254.423 4 ↓
Mid Mid (pH 6-8) 2.55 7.61 -79.62 3 3 2 34 255.431 4 ↓

Analogs

40451260
40451260
3287155
3287155

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Popular Name: 1-(4-methylthiazol-2-yl)piperidin-4-amine 1-(4-methylthiazol-2-yl)piperidi…

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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 3.18 -50.01 3 3 1 44 198.315 1 ↓
Mid Mid (pH 6-8) 0.58 3.58 -87.79 4 3 2 45 199.323 1 ↓

Analogs

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Popular Name: (E)-3-[4-methyl-2-(1-piperidyl)thiazol-5-yl]prop-2-enoic (E)-3-[4-methyl-2-(1-piperidyl)t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.26 6.43 -55.79 0 4 -1 56 251.331 3 ↓
Mid Mid (pH 6-8) 2.26 6.81 -57.8 1 4 0 58 252.339 3 ↓

Analogs

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Popular Name: 2-[(3S,5R)-3,5-dimethyl-1-piperidyl]thiazole-5-carbaldehyde 2-[(3S,5R)-3,5-dimethyl-1-piperi…

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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) 2.75 6.47 -7.37 0 3 0 33 224.329 2 ↓

Analogs

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Popular Name: 2-[(3S,5S)-3,5-dimethyl-1-piperidyl]thiazole-5-carbaldehyde 2-[(3S,5S)-3,5-dimethyl-1-piperi…

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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) 2.75 6.64 -7.7 0 3 0 33 224.329 2 ↓

Analogs

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Popular Name: 2-[(3R,5R)-3,5-dimethyl-1-piperidyl]thiazole-5-carbaldehyde 2-[(3R,5R)-3,5-dimethyl-1-piperi…

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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) 2.75 6.64 -7.32 0 3 0 33 224.329 2 ↓

Analogs

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Popular Name: 1-[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]thiazol-5-yl]ethanone 1-[2-[(3S,5R)-3,5-dimethyl-1-pip…

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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 7.15 -8.72 0 3 0 33 238.356 2 ↓

Analogs

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Popular Name: 1-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]thiazol-5-yl]ethanone 1-[2-[(3S,5S)-3,5-dimethyl-1-pip…

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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 7.32 -8.93 0 3 0 33 238.356 2 ↓

Analogs

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Popular Name: 1-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]thiazol-5-yl]ethanone 1-[2-[(3R,5R)-3,5-dimethyl-1-pip…

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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 7.32 -8.89 0 3 0 33 238.356 2 ↓

Analogs

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Popular Name: 1-[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-4-methyl-thiazol-5-yl]ethanone 1-[2-[(3S,5R)-3,5-dimethyl-1-pip…

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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 7.78 -7.17 0 3 0 33 252.383 2 ↓

Analogs

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Popular Name: 1-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-4-methyl-thiazol-5-yl]ethanone 1-[2-[(3S,5S)-3,5-dimethyl-1-pip…

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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 7.97 -7.57 0 3 0 33 252.383 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-4-methyl-thiazol-5-yl]ethanone 1-[2-[(3R,5R)-3,5-dimethyl-1-pip…

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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 7.96 -7.21 0 3 0 33 252.383 2 ↓

Analogs

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Popular Name: 2-(4-methyl-1-piperidyl)thiazole-5-carbaldehyde 2-(4-methyl-1-piperidyl)thiazole…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.27 5.89 -7.72 0 3 0 33 210.302 2 ↓

Analogs

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Popular Name: 1-[2-(4-methyl-1-piperidyl)thiazol-5-yl]ethanone 1-[2-(4-methyl-1-piperidyl)thiaz…

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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) 2.38 6.6 -9.11 0 3 0 33 224.329 2 ↓

Analogs

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Popular Name: 2-[(2R)-2-methyl-1-piperidyl]thiazole-5-carbaldehyde 2-[(2R)-2-methyl-1-piperidyl]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) 2.36 6.45 -7.25 0 3 0 33 210.302 2 ↓

Analogs

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Popular Name: 2-[(2S)-2-methyl-1-piperidyl]thiazole-5-carbaldehyde 2-[(2S)-2-methyl-1-piperidyl]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) 2.36 6.45 -7.27 0 3 0 33 210.302 2 ↓

Analogs

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Popular Name: 1-[2-[(2R)-2-methyl-1-piperidyl]thiazol-5-yl]ethanone 1-[2-[(2R)-2-methyl-1-piperidyl]…

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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 7.23 -9.01 0 3 0 33 224.329 2 ↓

Analogs

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Popular Name: 1-[2-[(2S)-2-methyl-1-piperidyl]thiazol-5-yl]ethanone 1-[2-[(2S)-2-methyl-1-piperidyl]…

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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 7.23 -9.02 0 3 0 33 224.329 2 ↓

Analogs

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Popular Name: 1-[4-methyl-2-[(2S)-2-methyl-1-piperidyl]thiazol-5-yl]ethanone 1-[4-methyl-2-[(2S)-2-methyl-1-p…

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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) 2.69 7.81 -7.24 0 3 0 33 238.356 2 ↓

Analogs

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Popular Name: 1-[4-methyl-2-[(2R)-2-methyl-1-piperidyl]thiazol-5-yl]ethanone 1-[4-methyl-2-[(2R)-2-methyl-1-p…

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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) 2.69 7.78 -7.23 0 3 0 33 238.356 2 ↓

Analogs

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Popular Name: 2-[(3R)-3-methyl-1-piperidyl]thiazole-5-carbaldehyde 2-[(3R)-3-methyl-1-piperidyl]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) 2.27 5.89 -7.81 0 3 0 33 210.302 2 ↓

Analogs

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Popular Name: 2-[(3S)-3-methyl-1-piperidyl]thiazole-5-carbaldehyde 2-[(3S)-3-methyl-1-piperidyl]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) 2.27 5.88 -7.8 0 3 0 33 210.302 2 ↓

Analogs

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Popular Name: 1-[2-[(3R)-3-methyl-1-piperidyl]thiazol-5-yl]ethanone 1-[2-[(3R)-3-methyl-1-piperidyl]…

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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) 2.38 6.56 -9.01 0 3 0 33 224.329 2 ↓

Analogs

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Popular Name: 1-[2-[(3S)-3-methyl-1-piperidyl]thiazol-5-yl]ethanone 1-[2-[(3S)-3-methyl-1-piperidyl]…

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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) 2.38 6.56 -9.01 0 3 0 33 224.329 2 ↓

Analogs

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Popular Name: 1-[2-(1-piperidyl)thiazol-5-yl]ethanone 1-[2-(1-piperidyl)thiazol-5-yl]e…

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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) 2.14 6.08 -9.32 0 3 0 33 210.302 2 ↓

Analogs

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Popular Name: 2-[(2R)-2-ethyl-1-piperidyl]thiazole-5-carbaldehyde 2-[(2R)-2-ethyl-1-piperidyl]thia…

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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) 2.90 7.03 -7.23 0 3 0 33 224.329 3 ↓

Analogs

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Popular Name: 2-[(2S)-2-ethyl-1-piperidyl]thiazole-5-carbaldehyde 2-[(2S)-2-ethyl-1-piperidyl]thia…

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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) 2.90 7.04 -7.17 0 3 0 33 224.329 3 ↓

Analogs

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Popular Name: 1-[2-[(2R)-2-ethyl-1-piperidyl]thiazol-5-yl]ethanone 1-[2-[(2R)-2-ethyl-1-piperidyl]t…

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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 7.7 -8.71 0 3 0 33 238.356 3 ↓

Analogs

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Popular Name: 1-[2-[(2S)-2-ethyl-1-piperidyl]thiazol-5-yl]ethanone 1-[2-[(2S)-2-ethyl-1-piperidyl]t…

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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 7.71 -8.69 0 3 0 33 238.356 3 ↓

Analogs

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Popular Name: 1-[2-[(2R)-2-ethyl-1-piperidyl]-4-methyl-thiazol-5-yl]ethanone 1-[2-[(2R)-2-ethyl-1-piperidyl]-…

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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 8.32 -7.07 0 3 0 33 252.383 3 ↓

Analogs

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Popular Name: 1-[2-[(2S)-2-ethyl-1-piperidyl]-4-methyl-thiazol-5-yl]ethanone 1-[2-[(2S)-2-ethyl-1-piperidyl]-…

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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 8.34 -7.07 0 3 0 33 252.383 3 ↓

Analogs

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Popular Name: 2-(4-methoxy-1-piperidyl)thiazole-5-carbaldehyde 2-(4-methoxy-1-piperidyl)thiazol…

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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) 0.76 4.29 -9.24 0 4 0 42 226.301 3 ↓

Analogs

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Popular Name: 1-[2-(4-methoxy-1-piperidyl)thiazol-5-yl]ethanone 1-[2-(4-methoxy-1-piperidyl)thia…

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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) 0.87 5.08 -10.62 0 4 0 42 240.328 3 ↓

Analogs

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Popular Name: 1-[2-(4-methoxy-1-piperidyl)-4-methyl-thiazol-5-yl]ethanone 1-[2-(4-methoxy-1-piperidyl)-4-m…

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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) 1.09 5.62 -9.02 0 4 0 42 254.355 3 ↓

Analogs

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Popular Name: 2-[4-(dimethylamino)-1-piperidyl]thiazole-5-carbaldehyde 2-[4-(dimethylamino)-1-piperidyl…

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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) 1.54 6.3 -46.83 1 4 1 38 240.352 3 ↓
Hi High (pH 8-9.5) 1.54 3.66 -7.88 0 4 0 36 239.344 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(dimethylamino)-1-piperidyl]thiazol-5-yl]ethanone 1-[2-[4-(dimethylamino)-1-piperi…

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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) 1.65 7.09 -47.19 1 4 1 38 254.379 3 ↓
Hi High (pH 8-9.5) 1.65 4.44 -9.19 0 4 0 36 253.371 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(dimethylamino)-1-piperidyl]-4-methyl-thiazol-5-yl]ethanone 1-[2-[4-(dimethylamino)-1-piperi…

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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) 1.87 7.63 -46.81 1 4 1 38 268.406 3 ↓
Hi High (pH 8-9.5) 1.87 4.98 -7.67 0 4 0 36 267.398 3 ↓

Analogs

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Popular Name: 2-[(3R)-3-ethyl-1-piperidyl]thiazole-5-carbaldehyde 2-[(3R)-3-ethyl-1-piperidyl]thia…

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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) 2.77 6.54 -7.8 0 3 0 33 224.329 3 ↓

Analogs

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Popular Name: 2-[(3S)-3-ethyl-1-piperidyl]thiazole-5-carbaldehyde 2-[(3S)-3-ethyl-1-piperidyl]thia…

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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) 2.77 6.54 -7.82 0 3 0 33 224.329 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(3R)-3-ethyl-1-piperidyl]thiazol-5-yl]ethanone 1-[2-[(3R)-3-ethyl-1-piperidyl]t…

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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) 2.88 7.22 -8.99 0 3 0 33 238.356 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(3S)-3-ethyl-1-piperidyl]thiazol-5-yl]ethanone 1-[2-[(3S)-3-ethyl-1-piperidyl]t…

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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) 2.88 7.22 -9.01 0 3 0 33 238.356 3 ↓

Parameters Provided:

ring.id = 16989
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 = 16989 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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