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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(4-propylpiperidine-1-carbonyl)cyclobutanecarboxylic 1-(4-propylpiperidine-1-carbonyl…

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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) 2.05 7.82 -50.46 0 4 -1 60 252.334 4 ↓
Lo Low (pH 4.5-6) 2.05 5.86 -7.64 1 4 0 58 253.342 4 ↓

Analogs

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Popular Name: 1-[(2R,4R)-2,4-dimethylpiperidine-1-carbonyl]cyclobutanecarboxylic 1-[(2R,4R)-2,4-dimethylpiperidin…

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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 6.87 -43.97 0 4 -1 60 238.307 2 ↓
Lo Low (pH 4.5-6) 1.13 5.12 -9.21 1 4 0 58 239.315 2 ↓

Analogs

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Popular Name: 1-[(2R,4S)-2,4-dimethylpiperidine-1-carbonyl]cyclobutanecarboxylic 1-[(2R,4S)-2,4-dimethylpiperidin…

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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 7 -51.12 0 4 -1 60 238.307 2 ↓
Lo Low (pH 4.5-6) 1.13 5.03 -7.87 1 4 0 58 239.315 2 ↓

Analogs

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Popular Name: 1-[(2S,4R)-2,4-dimethylpiperidine-1-carbonyl]cyclobutanecarboxylic 1-[(2S,4R)-2,4-dimethylpiperidin…

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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 7.07 -44.22 0 4 -1 60 238.307 2 ↓
Lo Low (pH 4.5-6) 1.13 5.09 -7.37 1 4 0 58 239.315 2 ↓

Analogs

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Popular Name: 1-[(2S,4S)-2,4-dimethylpiperidine-1-carbonyl]cyclobutanecarboxylic 1-[(2S,4S)-2,4-dimethylpiperidin…

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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 7.02 -45.77 0 4 -1 60 238.307 2 ↓
Lo Low (pH 4.5-6) 1.13 5.2 -8.97 1 4 0 58 239.315 2 ↓

Analogs

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Popular Name: 1-(cyclobutanecarbonyl)-4-methyl-piperidine-4-carboxylic 1-(cyclobutanecarbonyl)-4-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) 0.97 6.51 -48.85 0 4 -1 60 224.28 2 ↓

Analogs

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Popular Name: 1-(cyclobutanecarbonyl)-4-ethyl-piperidine-4-carboxylic 1-(cyclobutanecarbonyl)-4-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) 1.30 6.96 -47.82 0 4 -1 60 238.307 3 ↓

Analogs

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Popular Name: 1-(cyclobutanecarbonyl)-4-propyl-piperidine-4-carboxylic 1-(cyclobutanecarbonyl)-4-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) 1.86 7.73 -48.25 0 4 -1 60 252.334 4 ↓

Analogs

13170343
13170343
13170344
13170344

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Popular Name: (3S)-1-(cyclobutanecarbonyl)-3-methyl-piperidine-3-carboxylic (3S)-1-(cyclobutanecarbonyl)-3-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) 0.97 6.92 -54.05 0 4 -1 60 224.28 2 ↓

Analogs

13170343
13170343
13170344
13170344

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Popular Name: (3R)-1-(cyclobutanecarbonyl)-3-methyl-piperidine-3-carboxylic (3R)-1-(cyclobutanecarbonyl)-3-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) 0.97 6.93 -54.14 0 4 -1 60 224.28 2 ↓

Analogs

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Popular Name: (3S)-1-(cyclobutanecarbonyl)-3-ethyl-piperidine-3-carboxylic (3S)-1-(cyclobutanecarbonyl)-3-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) 1.30 7.43 -53.43 0 4 -1 60 238.307 3 ↓

Analogs

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Popular Name: (3R)-1-(cyclobutanecarbonyl)-3-ethyl-piperidine-3-carboxylic (3R)-1-(cyclobutanecarbonyl)-3-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) 1.30 7.39 -53.59 0 4 -1 60 238.307 3 ↓

Analogs

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Popular Name: (3S)-1-(cyclobutanecarbonyl)-3-propyl-piperidine-3-carboxylic (3S)-1-(cyclobutanecarbonyl)-3-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) 1.86 8.18 -54.1 0 4 -1 60 252.334 4 ↓

Analogs

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Popular Name: (3R)-1-(cyclobutanecarbonyl)-3-propyl-piperidine-3-carboxylic (3R)-1-(cyclobutanecarbonyl)-3-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) 1.86 8.16 -54.14 0 4 -1 60 252.334 4 ↓

Analogs

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Popular Name: 1-(4-ethyl-4-methyl-piperidine-1-carbonyl)cyclobutanecarboxylic 1-(4-ethyl-4-methyl-piperidine-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) 1.55 7.17 -50.52 0 4 -1 60 252.334 3 ↓
Lo Low (pH 4.5-6) 1.55 5.21 -7.43 1 4 0 58 253.342 3 ↓

Analogs

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Popular Name: 1-(4,4-diethylpiperidine-1-carbonyl)cyclobutanecarboxylic 1-(4,4-diethylpiperidine-1-carbo…

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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) 1.88 7.66 -50.27 0 4 -1 60 266.361 4 ↓
Lo Low (pH 4.5-6) 1.88 5.69 -7.22 1 4 0 58 267.369 4 ↓

Analogs

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Popular Name: [(3R,4R)-3-amino-4-methyl-1-piperidyl]-cyclobutyl-methanone [(3R,4R)-3-amino-4-methyl-1-pipe…

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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 3.36 -45.14 3 3 1 48 197.302 1 ↓
Hi High (pH 8-9.5) 0.45 3.45 -6.79 2 3 0 46 196.294 1 ↓

Analogs

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Popular Name: [(3R,4S)-3-amino-4-methyl-1-piperidyl]-cyclobutyl-methanone [(3R,4S)-3-amino-4-methyl-1-pipe…

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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 3.58 -44.99 3 3 1 48 197.302 1 ↓
Hi High (pH 8-9.5) 0.45 3.28 -7.45 2 3 0 46 196.294 1 ↓

Analogs

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Popular Name: [(3S,4R)-3-amino-4-methyl-1-piperidyl]-cyclobutyl-methanone [(3S,4R)-3-amino-4-methyl-1-pipe…

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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 3.55 -44.98 3 3 1 48 197.302 1 ↓
Hi High (pH 8-9.5) 0.45 3.28 -7.56 2 3 0 46 196.294 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S,4S)-3-amino-4-methyl-1-piperidyl]-cyclobutyl-methanone [(3S,4S)-3-amino-4-methyl-1-pipe…

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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 3.33 -45.12 3 3 1 48 197.302 1 ↓
Hi High (pH 8-9.5) 0.45 3.7 -6.41 2 3 0 46 196.294 1 ↓

Analogs

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Popular Name: [(2R,6R)-2-(aminomethyl)-6-methyl-1-piperidyl]-cyclobutyl-methanone [(2R,6R)-2-(aminomethyl)-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) 0.74 3.75 -39.63 3 3 1 48 211.329 2 ↓

Analogs

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Popular Name: [(2R,6S)-2-(aminomethyl)-6-methyl-1-piperidyl]-cyclobutyl-methanone [(2R,6S)-2-(aminomethyl)-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) 0.74 4.17 -38.56 3 3 1 48 211.329 2 ↓

Analogs

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Popular Name: [(2S,6R)-2-(aminomethyl)-6-methyl-1-piperidyl]-cyclobutyl-methanone [(2S,6R)-2-(aminomethyl)-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) 0.74 4.16 -38.67 3 3 1 48 211.329 2 ↓

Analogs

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Popular Name: [(2S,6S)-2-(aminomethyl)-6-methyl-1-piperidyl]-cyclobutyl-methanone [(2S,6S)-2-(aminomethyl)-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) 0.74 3.66 -60.02 3 3 1 48 211.329 2 ↓

Analogs

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Popular Name: [(3R)-3-[(1S)-1-aminoethyl]-1-piperidyl]-cyclobutyl-methanone [(3R)-3-[(1S)-1-aminoethyl]-1-pi…

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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) 0.69 4.22 -41.8 3 3 1 48 211.329 2 ↓

Analogs

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Popular Name: [(3R)-3-[(1R)-1-aminoethyl]-1-piperidyl]-cyclobutyl-methanone [(3R)-3-[(1R)-1-aminoethyl]-1-pi…

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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) 0.69 4.32 -46.97 3 3 1 48 211.329 2 ↓

Analogs

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Popular Name: [(3S)-3-[(1S)-1-aminoethyl]-1-piperidyl]-cyclobutyl-methanone [(3S)-3-[(1S)-1-aminoethyl]-1-pi…

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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) 0.69 4.3 -47.24 3 3 1 48 211.329 2 ↓

Analogs

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Popular Name: [(3S)-3-[(1R)-1-aminoethyl]-1-piperidyl]-cyclobutyl-methanone [(3S)-3-[(1R)-1-aminoethyl]-1-pi…

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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) 0.69 4.19 -41.77 3 3 1 48 211.329 2 ↓

Analogs

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Popular Name: [(2S,3R)-2-(aminomethyl)-3-methyl-1-piperidyl]-cyclobutyl-methanone [(2S,3R)-2-(aminomethyl)-3-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) 0.65 4.34 -38.69 3 3 1 48 211.329 2 ↓

Analogs

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Popular Name: [(2S,3S)-2-(aminomethyl)-3-methyl-1-piperidyl]-cyclobutyl-methanone [(2S,3S)-2-(aminomethyl)-3-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) 0.65 4.58 -31.55 3 3 1 48 211.329 2 ↓

Analogs

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Popular Name: [(2R,3R)-2-(aminomethyl)-3-methyl-1-piperidyl]-cyclobutyl-methanone [(2R,3R)-2-(aminomethyl)-3-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) 0.65 4.64 -31.06 3 3 1 48 211.329 2 ↓

Analogs

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Popular Name: [(2R,3S)-2-(aminomethyl)-3-methyl-1-piperidyl]-cyclobutyl-methanone [(2R,3S)-2-(aminomethyl)-3-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) 0.65 4.32 -38.99 3 3 1 48 211.329 2 ↓

Analogs

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Popular Name: [(2R,5R)-5-(aminomethyl)-2-methyl-1-piperidyl]-cyclobutyl-methanone [(2R,5R)-5-(aminomethyl)-2-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) 0.61 4.23 -58.13 3 3 1 48 211.329 2 ↓

Analogs

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Popular Name: [(2S,5R)-5-(aminomethyl)-2-methyl-1-piperidyl]-cyclobutyl-methanone [(2S,5R)-5-(aminomethyl)-2-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) 0.61 4.27 -56.03 3 3 1 48 211.329 2 ↓

Analogs

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Popular Name: [(2R,5S)-5-(aminomethyl)-2-methyl-1-piperidyl]-cyclobutyl-methanone [(2R,5S)-5-(aminomethyl)-2-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) 0.61 4.27 -55.89 3 3 1 48 211.329 2 ↓

Analogs

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Popular Name: [(2S,5S)-5-(aminomethyl)-2-methyl-1-piperidyl]-cyclobutyl-methanone [(2S,5S)-5-(aminomethyl)-2-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) 0.61 4.24 -57.76 3 3 1 48 211.329 2 ↓

Analogs

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Popular Name: [4-(2-aminoethyl)-1-piperidyl]-cyclobutyl-methanone [4-(2-aminoethyl)-1-piperidyl]-c…

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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) 0.74 4.31 -50.65 3 3 1 48 211.329 3 ↓

Analogs

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Popular Name: cyclobutyl-[4-[2-(methylamino)ethyl]-1-piperidyl]methanone cyclobutyl-[4-[2-(methylamino)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) 1.72 6.19 -46.04 2 3 1 37 225.356 4 ↓

Analogs

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Popular Name: cyclobutyl-[(2S)-2-[2-(methylamino)ethyl]-1-piperidyl]methanone cyclobutyl-[(2S)-2-[2-(methylami…

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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) 1.66 6.14 -34.37 2 3 1 37 225.356 4 ↓

Analogs

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Popular Name: cyclobutyl-[(2R)-2-[2-(methylamino)ethyl]-1-piperidyl]methanone cyclobutyl-[(2R)-2-[2-(methylami…

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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) 1.66 6.13 -34.31 2 3 1 37 225.356 4 ↓

Analogs

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Popular Name: 2-[1-(cyclobutanecarbonyl)-4-piperidyl]acetamide 2-[1-(cyclobutanecarbonyl)-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) 0.66 3.04 -14.3 2 4 0 63 224.304 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(cyclobutanecarbonyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide 1-(cyclobutanecarbonyl)-N-(3-eth…

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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) 1.22 5.51 -13.06 1 5 0 59 296.411 7 ↓

Analogs

41673555
41673555
37820478
37820478
37820479
37820479

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1-(cyclobutanecarbonyl)-3-piperidyl]methyl]methanesulfonamide N-[[(3R)-1-(cyclobutanecarbonyl)…

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Activity (Go SEA)

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) 0.64 2.48 -14.89 1 5 0 66 274.386 4 ↓

Analogs

41673552
41673552
37820023
37820023
37820024
37820024
37820025
37820025
37820026
37820026

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1-(cyclobutanecarbonyl)-3-piperidyl]methyl]methanesulfonamide N-[[(3S)-1-(cyclobutanecarbonyl)…

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Activity (Go SEA)

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) 0.64 2.45 -18.11 1 5 0 66 274.386 4 ↓

Parameters Provided:

ring.id = 17025
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 = 17025 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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