| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 17 | Yes |
Popular Name: (2S)-2-amino-1-[(3S)-3-(1H-pyrazol-5-yl)-1-piperidyl]butan-1-one (2S)-2-amino-1-[(3S)-3-(1H-pyraz…
| 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) | 0.02 | 2.24 | -46.83 | 4 | 5 | 1 | 77 | 237.327 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.02 | 1.94 | -12.19 | 3 | 5 | 0 | 75 | 236.319 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.02 | 2.03 | -9.26 | 3 | 5 | 0 | 75 | 236.319 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.02 | 2.34 | -47.07 | 4 | 5 | 1 | 77 | 237.327 | 3 | ↓ |
