UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[(4-pentoxyphenyl)methyl]piperidine-2,6-dione 3-[(4-pentoxyphenyl)methyl]piper…

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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) 3.32 -0.24 -11.73 1 4 0 55 289.375 7 ↓

Analogs

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Popular Name: 3-[(4-pentoxyphenyl)methyl]piperidine-2,6-dione 3-[(4-pentoxyphenyl)methyl]piper…

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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) 3.32 -0.24 -12.49 1 4 0 55 289.375 7 ↓

Analogs

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Popular Name: [(E)-[(2R,4R,6S)-2-[(1R)-2-[(3S)-2,6-dioxo-3-piperidyl]-1-hydroxy-ethyl]-4,6-dimethyl-cyclohexyliden [(E)-[(2R,4R,6S)-2-[(1R)-2-[(3S)…

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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) 0.38 0.19 -18.2 5 8 0 134 338.408 4 ↓

Analogs

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Popular Name: [(E)-[(2R,4S,6S)-2-[(1R)-2-[(3S)-2,6-dioxo-3-piperidyl]-1-hydroxy-ethyl]-4,6-dimethyl-cyclohexyliden [(E)-[(2R,4S,6S)-2-[(1R)-2-[(3S)…

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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) 0.38 -0.04 -18.33 5 8 0 134 338.408 4 ↓

Analogs

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Popular Name: 4-(p-tolyl)-1-(p-tolylmethyl)piperidine-2,6-dione 4-(p-tolyl)-1-(p-tolylmethyl)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) 3.75 11.02 -8.29 0 3 0 37 307.393 3 ↓

Analogs

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Popular Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(p-tolyl)piperidine-2,6-dione 1-(1,3-benzodioxol-5-ylmethyl)-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) 3.19 9.03 -10.2 0 5 0 56 337.375 3 ↓

Analogs

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Popular Name: 1-butyl-4-(p-tolyl)piperidine-2,6-dione 1-butyl-4-(p-tolyl)piperidine-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) 3.34 8.91 -7.88 0 3 0 37 259.349 4 ↓

Analogs

36881040
36881040
36881041
36881041
4315421
4315421

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Popular Name: 1-(m-tolyl)-4-phenyl-piperidine-2,6-dione 1-(m-tolyl)-4-phenyl-piperidine-…

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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) 2.24 9.73 -11.78 0 3 0 37 279.339 2 ↓

Analogs

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Popular Name: 1-(2,4-difluorophenyl)-4-phenyl-piperidine-2,6-dione 1-(2,4-difluorophenyl)-4-phenyl-…

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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) 2.07 9.28 -11.58 0 3 0 37 301.292 2 ↓

Analogs

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Popular Name: 1-(o-tolyl)-4-phenyl-piperidine-2,6-dione 1-(o-tolyl)-4-phenyl-piperidine-…

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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) 2.21 10.08 -11.54 0 3 0 37 279.339 2 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.36 10.65 -13.08 0 5 0 64 337.375 5 ↓

Analogs

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Popular Name: 1-(2-methoxyphenyl)-4-phenyl-piperidine-2,6-dione 1-(2-methoxyphenyl)-4-phenyl-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) 1.82 8.52 -13.43 0 4 0 47 295.338 3 ↓

Analogs

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Popular Name: 3-[[(3S,6R)-6-methyl-3-piperidyl]methyl]-3-azaspiro[5.5]undecane-2,4-dione 3-[[(3S,6R)-6-methyl-3-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) 2.26 7.07 -36.01 2 4 1 54 293.431 2 ↓

Analogs

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Popular Name: 3-[[(3S,6S)-6-methyl-3-piperidyl]methyl]-3-azaspiro[5.5]undecane-2,4-dione 3-[[(3S,6S)-6-methyl-3-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) 2.26 7.36 -35.08 2 4 1 54 293.431 2 ↓

Analogs

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Popular Name: 3-[[(3R,6R)-6-methyl-3-piperidyl]methyl]-3-azaspiro[5.5]undecane-2,4-dione 3-[[(3R,6R)-6-methyl-3-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) 2.26 7.36 -34.77 2 4 1 54 293.431 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(3R,6S)-6-methyl-3-piperidyl]methyl]-3-azaspiro[5.5]undecane-2,4-dione 3-[[(3R,6S)-6-methyl-3-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) 2.26 7.06 -35.67 2 4 1 54 293.431 2 ↓

Analogs

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Popular Name: 8-[[(3S,6R)-6-methyl-3-piperidyl]methyl]-8-azaspiro[4.5]decane-7,9-dione 8-[[(3S,6R)-6-methyl-3-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) 1.76 6.46 -35.69 2 4 1 54 279.404 2 ↓

Analogs

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Popular Name: 8-[[(3S,6S)-6-methyl-3-piperidyl]methyl]-8-azaspiro[4.5]decane-7,9-dione 8-[[(3S,6S)-6-methyl-3-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) 1.76 6.76 -34.78 2 4 1 54 279.404 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[[(3R,6R)-6-methyl-3-piperidyl]methyl]-8-azaspiro[4.5]decane-7,9-dione 8-[[(3R,6R)-6-methyl-3-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) 1.76 6.83 -34.85 2 4 1 54 279.404 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[[(3R,6S)-6-methyl-3-piperidyl]methyl]-8-azaspiro[4.5]decane-7,9-dione 8-[[(3R,6S)-6-methyl-3-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) 1.76 6.53 -35.76 2 4 1 54 279.404 2 ↓

Analogs

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Popular Name: 4,4-dimethyl-1-[[(3S,6R)-6-methyl-3-piperidyl]methyl]piperidine-2,6-dione 4,4-dimethyl-1-[[(3S,6R)-6-methy…

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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) 1.43 5.53 -37.14 2 4 1 54 253.366 2 ↓

Analogs

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Popular Name: 4,4-dimethyl-1-[[(3S,6S)-6-methyl-3-piperidyl]methyl]piperidine-2,6-dione 4,4-dimethyl-1-[[(3S,6S)-6-methy…

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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) 1.43 5.81 -36.05 2 4 1 54 253.366 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,4-dimethyl-1-[[(3R,6R)-6-methyl-3-piperidyl]methyl]piperidine-2,6-dione 4,4-dimethyl-1-[[(3R,6R)-6-methy…

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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) 1.43 5.8 -36.06 2 4 1 54 253.366 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,4-dimethyl-1-[[(3R,6S)-6-methyl-3-piperidyl]methyl]piperidine-2,6-dione 4,4-dimethyl-1-[[(3R,6S)-6-methy…

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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) 1.43 5.51 -37.08 2 4 1 54 253.366 2 ↓

Analogs

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Popular Name: 4-methyl-1-[[(3S,6R)-6-methyl-3-piperidyl]methyl]piperidine-2,6-dione 4-methyl-1-[[(3S,6R)-6-methyl-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) 1.02 4.97 -36.06 2 4 1 54 239.339 2 ↓

Analogs

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Popular Name: 4-methyl-1-[[(3S,6S)-6-methyl-3-piperidyl]methyl]piperidine-2,6-dione 4-methyl-1-[[(3S,6S)-6-methyl-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) 1.02 5.26 -35.98 2 4 1 54 239.339 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[[(3R,6R)-6-methyl-3-piperidyl]methyl]piperidine-2,6-dione 4-methyl-1-[[(3R,6R)-6-methyl-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) 1.02 5.25 -35.03 2 4 1 54 239.339 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[[(3R,6S)-6-methyl-3-piperidyl]methyl]piperidine-2,6-dione 4-methyl-1-[[(3R,6S)-6-methyl-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) 1.02 4.95 -36.06 2 4 1 54 239.339 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3S,6R)-6-methyl-3-piperidyl]methyl]piperidine-2,6-dione 1-[[(3S,6R)-6-methyl-3-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) 0.78 4.36 -37.39 2 4 1 54 225.312 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3S,6S)-6-methyl-3-piperidyl]methyl]piperidine-2,6-dione 1-[[(3S,6S)-6-methyl-3-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) 0.78 4.65 -36.33 2 4 1 54 225.312 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R,6R)-6-methyl-3-piperidyl]methyl]piperidine-2,6-dione 1-[[(3R,6R)-6-methyl-3-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) 0.78 4.64 -36.35 2 4 1 54 225.312 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R,6S)-6-methyl-3-piperidyl]methyl]piperidine-2,6-dione 1-[[(3R,6S)-6-methyl-3-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) 0.78 4.35 -37.38 2 4 1 54 225.312 2 ↓

Analogs

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Popular Name: 1-[[4-(2-aminoethyl)phenyl]methyl]piperidine-2,6-dione 1-[[4-(2-aminoethyl)phenyl]methy…

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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) 0.28 5.06 -51.64 3 4 1 65 247.318 4 ↓

Analogs

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Popular Name: 1-[2-(2-aminophenyl)ethyl]piperidine-2,6-dione 1-[2-(2-aminophenyl)ethyl]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) 1.13 4.99 -9.63 2 4 0 63 232.283 3 ↓

Analogs

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Popular Name: 9-[2-(2-hydroxyethoxy)ethyl]-9-azaspiro[5.5]undecane-8,10-dione 9-[2-(2-hydroxyethoxy)ethyl]-9-a…

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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) 0.63 3.69 -11.66 1 5 0 67 269.341 5 ↓

Analogs

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Popular Name: 8-[2-(2-hydroxyethoxy)ethyl]-8-azaspiro[4.5]decane-7,9-dione 8-[2-(2-hydroxyethoxy)ethyl]-8-a…

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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) 0.13 3.14 -11.72 1 5 0 67 255.314 5 ↓

Analogs

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Popular Name: 3-[(3-aminophenyl)methyl]-3-azaspiro[5.5]undecane-2,4-dione 3-[(3-aminophenyl)methyl]-3-azas…

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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) 1.83 6.86 -8.96 2 4 0 63 286.375 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[(3-aminophenyl)methyl]-8-azaspiro[4.5]decane-7,9-dione 8-[(3-aminophenyl)methyl]-8-azas…

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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) 1.32 6.28 -8.99 2 4 0 63 272.348 2 ↓

Analogs

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Popular Name: 1-(3-oxo-3-piperazin-1-yl-propyl)piperidine-2,6-dione 1-(3-oxo-3-piperazin-1-yl-propyl…

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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) -1.19 3.12 -54.69 2 6 1 74 254.31 3 ↓
Mid Mid (pH 6-8) -1.19 1.83 -15.55 1 6 0 70 253.302 3 ↓

Analogs

35821798
35821798

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Popular Name: 4-cyano-N-[2-cyclohexen-1-yl-4-(2,6-dioxo-4-piperidyl)phenyl]-1H-imidazole-2-carboxamide 4-cyano-N-[2-cyclohexen-1-yl-4-(…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CSF1R-1-E Macrophage Colony-stimulating Factor 1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CSF1R_HUMAN P07333 Macrophage Colony Stimulating Factor Receptor, Human 1 0.42 Binding ≤ 1μM
CSF1R_HUMAN P07333 Macrophage Colony Stimulating Factor Receptor, Human 1 0.42 Binding ≤ 10μM

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) 2.00 6.18 -40.31 2 8 -1 126 402.434 4 ↓
Mid Mid (pH 6-8) 2.00 6.64 -17.26 3 8 0 128 403.442 4 ↓

Analogs

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Popular Name: 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,6-dioxo-4-piperidyl)phenyl]-1H-imidazole-2-carboxami 4-cyano-N-[2-(4,4-dimethylcycloh…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CSF1R-1-E Macrophage Colony-stimulating Factor 1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CSF1R_HUMAN P07333 Macrophage Colony Stimulating Factor Receptor, Human 0.8 0.40 Binding ≤ 1μM
CSF1R_HUMAN P07333 Macrophage Colony Stimulating Factor Receptor, Human 0.8 0.40 Binding ≤ 10μM

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 7.16 -40.36 2 8 -1 126 430.488 4 ↓
Mid Mid (pH 6-8) 2.18 7.62 -17.04 3 8 0 128 431.496 4 ↓

Analogs

13232857
13232857
26636860
26636860
29336411
29336411

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Popular Name: Rogletimide Rogletimide

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CP19A-1-E Cytochrome P450 19A1 (cluster #1 Of 3), Eukaryotic Eukaryotes 5000 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CP19A_HUMAN P11511 Cytochrome P450 19A1, Human 10000 0.44 Binding ≤ 10μM

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) 0.40 -0.84 -11.41 1 4 0 59 218.256 2 ↓
Lo Low (pH 4.5-6) 0.40 -0.73 -41.34 2 4 1 60 219.264 2 ↓

Analogs

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Popular Name: 8-cyclohexyl-8-azaspiro[4.5]decane-7,9-dione 8-cyclohexyl-8-azaspiro[4.5]deca…

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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 0.78 -7.2 0 3 0 37 249.354 1 ↓

Analogs

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Popular Name: 4-[2-[(3S,5R)-3,5-dimethyl-2,6-dioxo-cyclohexyl]-2-imino-ethyl]piperidine-2,6-dione 4-[2-[(3S,5R)-3,5-dimethyl-2,6-d…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.57 3.53 -37.58 2 6 -1 110 291.327 3 ↓
Mid Mid (pH 6-8) -0.01 3.3 -49.18 3 6 1 106 293.343 3 ↓
Mid Mid (pH 6-8) 0.57 1.6 -14.03 3 6 0 107 292.335 3 ↓

Analogs

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Popular Name: 4-Aminopiperidine-2,6-dione 4-Aminopiperidine-2,6-dione

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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) 0.45 -2.73 -64.24 4 4 1 74 129.139 0 ↓

Analogs

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Popular Name: 3,9-diazaspiro[5.5]undecane-2,4-dione 3,9-diazaspiro[5.5]undecane-2,4-…

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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) -0.95 0.41 -53.61 3 4 1 63 183.231 0 ↓

Analogs

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Popular Name: N-[(1S)-3-(4-fluorophenyl)-1-methyl-propyl]-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1] N-[(1S)-3-(4-fluorophenyl)-1-met…

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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) 3.82 10.35 -17.29 1 5 0 66 388.483 6 ↓

Analogs

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Popular Name: N-[(1R)-3-(4-fluorophenyl)-1-methyl-propyl]-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1] N-[(1R)-3-(4-fluorophenyl)-1-met…

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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) 3.82 10.33 -17.2 1 5 0 66 388.483 6 ↓

Analogs

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Popular Name: 2-(6-chloroindol-1-yl)-N-[4-(2,6-dioxo-1-piperidyl)phenyl]acetamide 2-(6-chloroindol-1-yl)-N-[4-(2,6…

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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) 2.00 10.31 -23.71 1 6 0 71 395.846 4 ↓

Analogs

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Popular Name: 2-(2,6-dioxo-1-piperidyl)benzonitrile 2-(2,6-dioxo-1-piperidyl)benzoni…

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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) -0.04 6.31 -15.41 0 4 0 61 214.224 1 ↓

Parameters Provided:

ring.id = 3530
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 = 3530 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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