| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2008 | 18 | Yes |
Popular Name: 2-[(3S)-3-(aminomethyl)-1-piperidyl]-1-(azepan-1-yl)ethanone 2-[(3S)-3-(aminomethyl)-1-piperi…
| 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) | 0.68 | 6 | -107.86 | 4 | 4 | 2 | 52 | 255.406 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.68 | 3.81 | -51.26 | 3 | 4 | 1 | 51 | 254.398 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.68 | 5.64 | -36.67 | 3 | 4 | 1 | 51 | 254.398 | 3 | ↓ |
