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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [2-(4-methyl-1-piperidyl)-2-oxo-ethyl]-phenyl-BLAHone [2-(4-methyl-1-piperidyl)-2-oxo-…

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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) 2.41 11.11 -11.75 0 7 0 73 409.515 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-methyl-1-piperidyl)-2-oxo-ethyl]-phenyl-BLAHone [2-(4-methyl-1-piperidyl)-2-oxo-…

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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) 2.41 11.12 -11.72 0 7 0 73 409.515 3 ↓

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) 2.28 12.02 -16.93 0 9 0 99 467.551 6 ↓

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) 2.28 12.03 -15.36 0 9 0 99 467.551 6 ↓

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) 2.28 12.02 -15.26 0 9 0 99 467.551 6 ↓

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) 2.28 12.04 -16.75 0 9 0 99 467.551 6 ↓

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) 2.28 12.05 -15.68 0 9 0 99 467.551 6 ↓

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) 2.28 12.05 -17.42 0 9 0 99 467.551 6 ↓

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) 1.90 11.14 -17.75 0 9 0 99 453.524 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) 1.90 11.13 -17.67 0 9 0 99 453.524 5 ↓

Analogs

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Popular Name: [2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-phenyl-BLAHone [2-[(3R,5R)-3,5-dimethyl-1-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) 2.89 11.93 -12.58 0 7 0 73 423.542 3 ↓

Analogs

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Popular Name: [2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-phenyl-BLAHone [2-[(3S,5R)-3,5-dimethyl-1-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) 2.89 11.8 -12.78 0 7 0 73 423.542 3 ↓

Analogs

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Popular Name: [2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-phenyl-BLAHone [2-[(3S,5S)-3,5-dimethyl-1-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) 2.89 11.95 -12.14 0 7 0 73 423.542 3 ↓

Analogs

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Popular Name: m-tolyl-[2-oxo-2-(1-piperidyl)ethyl]BLAHone m-tolyl-[2-oxo-2-(1-piperidyl)et…

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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) 2.81 11.19 -11.86 0 7 0 73 409.515 3 ↓

Analogs

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Popular Name: m-tolyl-[2-oxo-2-(1-piperidyl)ethyl]BLAHone m-tolyl-[2-oxo-2-(1-piperidyl)et…

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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) 2.81 11.2 -12.89 0 7 0 73 409.515 3 ↓

Analogs

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Popular Name: [2-[(2R)-2-methyl-1-piperidyl]-2-oxo-ethyl]-(m-tolyl)BLAHone [2-[(2R)-2-methyl-1-piperidyl]-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) 3.14 11.81 -12.3 0 7 0 73 423.542 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]-(m-tolyl)BLAHone [2-[(2S)-2-methyl-1-piperidyl]-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) 3.14 11.81 -10.77 0 7 0 73 423.542 3 ↓

Analogs

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Popular Name: [2-[(2R)-2-methyl-1-piperidyl]-2-oxo-ethyl]-(m-tolyl)BLAHone [2-[(2R)-2-methyl-1-piperidyl]-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) 3.14 11.81 -11.84 0 7 0 73 423.542 3 ↓

Analogs

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Popular Name: [2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]-(m-tolyl)BLAHone [2-[(2S)-2-methyl-1-piperidyl]-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) 3.14 11.78 -11.78 0 7 0 73 423.542 3 ↓

Analogs

36669496
36669496
36669498
36669498

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Popular Name: [2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl]-(m-tolyl)BLAHone [2-[(3R)-3-methyl-1-piperidyl]-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) 3.05 11.76 -12.31 0 7 0 73 423.542 3 ↓

Analogs

36669496
36669496
36669498
36669498

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]-(m-tolyl)BLAHone [2-[(3S)-3-methyl-1-piperidyl]-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) 3.05 11.75 -12.81 0 7 0 73 423.542 3 ↓

Analogs

36669496
36669496
36669498
36669498

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl]-(m-tolyl)BLAHone [2-[(3R)-3-methyl-1-piperidyl]-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) 3.05 11.76 -12.18 0 7 0 73 423.542 3 ↓

Analogs

36669496
36669496
36669498
36669498

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]-(m-tolyl)BLAHone [2-[(3S)-3-methyl-1-piperidyl]-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) 3.05 11.76 -11.76 0 7 0 73 423.542 3 ↓

Analogs

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Popular Name: [2-(4-methyl-1-piperidyl)-2-oxo-ethyl]-(m-tolyl)BLAHone [2-(4-methyl-1-piperidyl)-2-oxo-…

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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) 3.05 11.76 -11.77 0 7 0 73 423.542 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-methyl-1-piperidyl)-2-oxo-ethyl]-(m-tolyl)BLAHone [2-(4-methyl-1-piperidyl)-2-oxo-…

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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) 3.05 11.78 -11.7 0 7 0 73 423.542 3 ↓

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) 2.91 12.69 -16.82 0 9 0 99 481.578 6 ↓

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) 2.91 12.69 -15.33 0 9 0 99 481.578 6 ↓

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) 2.91 12.68 -15.22 0 9 0 99 481.578 6 ↓

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) 2.91 12.69 -16.12 0 9 0 99 481.578 6 ↓

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) 2.91 12.72 -15.71 0 9 0 99 481.578 6 ↓

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) 2.91 12.72 -17.36 0 9 0 99 481.578 6 ↓

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) 2.54 11.82 -18.32 0 9 0 99 467.551 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) 2.54 11.79 -17.61 0 9 0 99 467.551 5 ↓

Analogs

36669496
36669496
36669498
36669498

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(3R,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-(m-tolyl)BLAHone [2-[(3R,5S)-3,5-dimethyl-1-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) 3.53 12.36 -12.57 0 7 0 73 437.569 3 ↓

Analogs

36669496
36669496
36669498
36669498

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-(m-tolyl)BLAHone [2-[(3S,5S)-3,5-dimethyl-1-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) 3.53 12.61 -12.11 0 7 0 73 437.569 3 ↓

Analogs

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Popular Name: 1-[2-(m-tolyl-oxo-BLAHyl)acetyl]piperidine-4-carboxamide 1-[2-(m-tolyl-oxo-BLAHyl)acetyl]…

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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) 1.41 7.83 -20.92 2 9 0 116 452.54 4 ↓

Analogs

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Popular Name: 1-[2-(m-tolyl-oxo-BLAHyl)acetyl]piperidine-4-carboxamide 1-[2-(m-tolyl-oxo-BLAHyl)acetyl]…

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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) 1.41 7.83 -19 2 9 0 116 452.54 4 ↓

Analogs

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Popular Name: (3-chlorophenyl)-[2-oxo-2-(1-piperidyl)ethyl]BLAHone (3-chlorophenyl)-[2-oxo-2-(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) 3.04 11.05 -11.21 0 7 0 73 429.933 3 ↓

Analogs

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Popular Name: (3-chlorophenyl)-[2-oxo-2-(1-piperidyl)ethyl]BLAHone (3-chlorophenyl)-[2-oxo-2-(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) 3.04 11.04 -12.4 0 7 0 73 429.933 3 ↓

Analogs

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Popular Name: (3-chlorophenyl)-[2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl]BLAHone (3-chlorophenyl)-[2-[(3R)-3-meth…

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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 11.6 -11.75 0 7 0 73 443.96 3 ↓

Analogs

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Popular Name: (3-chlorophenyl)-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]BLAHone (3-chlorophenyl)-[2-[(3S)-3-meth…

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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 11.61 -12.22 0 7 0 73 443.96 3 ↓

Analogs

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Popular Name: (3-chlorophenyl)-[2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl]BLAHone (3-chlorophenyl)-[2-[(3R)-3-meth…

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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 11.61 -11.98 0 7 0 73 443.96 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-chlorophenyl)-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]BLAHone (3-chlorophenyl)-[2-[(3S)-3-meth…

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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 11.61 -10.97 0 7 0 73 443.96 3 ↓

Analogs

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Popular Name: (3-chlorophenyl)-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]BLAHone (3-chlorophenyl)-[2-(4-methyl-1-…

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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 11.62 -11.17 0 7 0 73 443.96 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-chlorophenyl)-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]BLAHone (3-chlorophenyl)-[2-(4-methyl-1-…

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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 11.65 -11.08 0 7 0 73 443.96 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 3.14 12.53 -16.42 0 9 0 99 501.996 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 3.14 12.55 -14.8 0 9 0 99 501.996 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 3.14 12.53 -14.53 0 9 0 99 501.996 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 3.14 12.55 -16.06 0 9 0 99 501.996 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 3.14 12.56 -15.17 0 9 0 99 501.996 6 ↓

Parameters Provided:

ring.id = 229320
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 = 229320 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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