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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R,4R)-3-amino-4-methyl-1-piperidyl]-(1H-triazol-4-yl)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) -0.80 -0.28 -47.06 4 6 1 90 210.261 1 ↓
Hi High (pH 8-9.5) -0.80 -0.2 -37.49 2 6 -1 86 208.245 1 ↓
Mid Mid (pH 6-8) -0.80 -0.3 -62.97 3 6 0 88 209.253 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R,4S)-3-amino-4-methyl-1-piperidyl]-(1H-triazol-4-yl)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) -0.80 -0.06 -46.99 4 6 1 90 210.261 1 ↓
Hi High (pH 8-9.5) -0.80 -0.38 -35.65 2 6 -1 86 208.245 1 ↓
Mid Mid (pH 6-8) -0.80 -0.08 -62.28 3 6 0 88 209.253 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S,4R)-3-amino-4-methyl-1-piperidyl]-(1H-triazol-4-yl)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) -0.80 -0.08 -46.87 4 6 1 90 210.261 1 ↓
Hi High (pH 8-9.5) -0.80 -0.36 -35.48 2 6 -1 86 208.245 1 ↓
Mid Mid (pH 6-8) -0.80 -0.1 -61.7 3 6 0 88 209.253 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S,4S)-3-amino-4-methyl-1-piperidyl]-(1H-triazol-4-yl)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) -0.80 -0.3 -47.02 4 6 1 90 210.261 1 ↓
Hi High (pH 8-9.5) -0.80 0.05 -34.38 2 6 -1 86 208.245 1 ↓
Mid Mid (pH 6-8) -0.80 -0.32 -62.14 3 6 0 88 209.253 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(2-aminoethyl)-1-piperidyl]-(1H-triazol-4-yl)methanone [(2R)-2-(2-aminoethyl)-1-piperid…

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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 0.61 -42.63 4 6 1 90 224.288 3 ↓
Mid Mid (pH 6-8) -0.57 0.59 -58.73 3 6 0 88 223.28 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(2-aminoethyl)-1-piperidyl]-(1H-triazol-4-yl)methanone [(2S)-2-(2-aminoethyl)-1-piperid…

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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 0.64 -42.63 4 6 1 90 224.288 3 ↓
Mid Mid (pH 6-8) -0.57 0.62 -59.11 3 6 0 88 223.28 3 ↓

Analogs

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Popular Name: [(2R,6R)-2-(aminomethyl)-6-methyl-1-piperidyl]-(1H-triazol-4-yl)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) -0.51 0.64 -42.96 4 6 1 90 224.288 2 ↓
Mid Mid (pH 6-8) -0.51 0.62 -25.48 3 6 0 88 223.28 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,6S)-2-(aminomethyl)-6-methyl-1-piperidyl]-(1H-triazol-4-yl)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) -0.51 0.51 -42.66 4 6 1 90 224.288 2 ↓
Mid Mid (pH 6-8) -0.51 0.49 -57.31 3 6 0 88 223.28 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6R)-2-(aminomethyl)-6-methyl-1-piperidyl]-(1H-triazol-4-yl)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) -0.51 0.52 -42.63 4 6 1 90 224.288 2 ↓
Mid Mid (pH 6-8) -0.51 0.5 -57.36 3 6 0 88 223.28 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6S)-2-(aminomethyl)-6-methyl-1-piperidyl]-(1H-triazol-4-yl)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) -0.51 0.86 -31.98 4 6 1 90 224.288 2 ↓
Mid Mid (pH 6-8) -0.51 0.84 -25.26 3 6 0 88 223.28 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-(2-aminoethyl)-1-piperidyl]-(1H-triazol-4-yl)methanone [(3R)-3-(2-aminoethyl)-1-piperid…

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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 0.67 -46.69 4 6 1 90 224.288 3 ↓
Mid Mid (pH 6-8) -0.69 0.65 -65.9 3 6 0 88 223.28 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-(2-aminoethyl)-1-piperidyl]-(1H-triazol-4-yl)methanone [(3S)-3-(2-aminoethyl)-1-piperid…

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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 0.66 -46.62 4 6 1 90 224.288 3 ↓
Mid Mid (pH 6-8) -0.69 0.64 -65.37 3 6 0 88 223.28 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-[(1S)-1-aminoethyl]-1-piperidyl]-(1H-triazol-4-yl)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) -0.56 0.7 -48.91 4 6 1 90 224.288 2 ↓
Mid Mid (pH 6-8) -0.56 0.68 -66.41 3 6 0 88 223.28 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-[(1R)-1-aminoethyl]-1-piperidyl]-(1H-triazol-4-yl)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) -0.56 0.61 -48.7 4 6 1 90 224.288 2 ↓
Mid Mid (pH 6-8) -0.56 0.59 -67.7 3 6 0 88 223.28 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-[(1S)-1-aminoethyl]-1-piperidyl]-(1H-triazol-4-yl)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) -0.56 0.58 -48.74 4 6 1 90 224.288 2 ↓
Mid Mid (pH 6-8) -0.56 0.56 -66.84 3 6 0 88 223.28 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-[(1R)-1-aminoethyl]-1-piperidyl]-(1H-triazol-4-yl)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) -0.56 0.67 -48.84 4 6 1 90 224.288 2 ↓
Mid Mid (pH 6-8) -0.56 0.65 -66.54 3 6 0 88 223.28 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3R)-2-(aminomethyl)-3-methyl-1-piperidyl]-(1H-triazol-4-yl)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) -0.60 0.67 -42.79 4 6 1 90 224.288 2 ↓
Mid Mid (pH 6-8) -0.60 0.65 -57.34 3 6 0 88 223.28 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3S)-2-(aminomethyl)-3-methyl-1-piperidyl]-(1H-triazol-4-yl)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) -0.60 0.74 -34.24 4 6 1 90 224.288 2 ↓
Mid Mid (pH 6-8) -0.60 0.72 -39.55 3 6 0 88 223.28 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3R)-2-(aminomethyl)-3-methyl-1-piperidyl]-(1H-triazol-4-yl)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) -0.60 0.94 -34.87 4 6 1 90 224.288 2 ↓
Mid Mid (pH 6-8) -0.60 0.92 -41.83 3 6 0 88 223.28 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-2-(aminomethyl)-3-methyl-1-piperidyl]-(1H-triazol-4-yl)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) -0.60 0.65 -42.88 4 6 1 90 224.288 2 ↓
Mid Mid (pH 6-8) -0.60 0.63 -57.27 3 6 0 88 223.28 2 ↓

Analogs

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Popular Name: [(2R,5R)-5-(aminomethyl)-2-methyl-1-piperidyl]-(1H-triazol-4-yl)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) -0.63 0.61 -52.68 4 6 1 90 224.288 2 ↓
Mid Mid (pH 6-8) -0.63 0.59 -51.54 3 6 0 88 223.28 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5R)-5-(aminomethyl)-2-methyl-1-piperidyl]-(1H-triazol-4-yl)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) -0.63 0.61 -51.7 4 6 1 90 224.288 2 ↓
Mid Mid (pH 6-8) -0.63 0.59 -48.31 3 6 0 88 223.28 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5S)-5-(aminomethyl)-2-methyl-1-piperidyl]-(1H-triazol-4-yl)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) -0.63 0.65 -51.19 4 6 1 90 224.288 2 ↓
Mid Mid (pH 6-8) -0.63 0.63 -49.7 3 6 0 88 223.28 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5S)-5-(aminomethyl)-2-methyl-1-piperidyl]-(1H-triazol-4-yl)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) -0.63 0.6 -52.96 4 6 1 90 224.288 2 ↓
Mid Mid (pH 6-8) -0.63 0.58 -50.15 3 6 0 88 223.28 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[2-(methylamino)ethyl]-1-piperidyl]-(1H-triazol-4-yl)methanone [4-[2-(methylamino)ethyl]-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) 0.47 2.53 -45.97 3 6 1 78 238.315 4 ↓
Mid Mid (pH 6-8) 0.47 2.51 -64.78 2 6 0 77 237.307 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-[2-(methylamino)ethyl]-1-piperidyl]-(1H-triazol-4-yl)methanone [(2S)-2-[2-(methylamino)ethyl]-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) 0.41 2.52 -37.86 3 6 1 78 238.315 4 ↓
Mid Mid (pH 6-8) 0.41 2.5 -54.04 2 6 0 77 237.307 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-[2-(methylamino)ethyl]-1-piperidyl]-(1H-triazol-4-yl)methanone [(2R)-2-[2-(methylamino)ethyl]-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) 0.41 2.48 -37.88 3 6 1 78 238.315 4 ↓
Mid Mid (pH 6-8) 0.41 2.46 -53.74 2 6 0 77 237.307 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-ethyl-1-piperidyl)-(1H-triazol-4-yl)methanone (4-ethyl-1-piperidyl)-(1H-triazo…

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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 3.34 -6.46 1 5 0 62 208.265 2 ↓
Hi High (pH 8-9.5) 1.30 3.32 -36.14 0 5 -1 60 207.257 2 ↓

Parameters Provided:

ring.id = 420812
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 420812 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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