| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2010 | 16 | Yes |
Popular Name: 4-[(3S)-3-(aminomethyl)-1-piperidyl]-N,N-dimethyl-butanamide 4-[(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) | -0.63 | 4.37 | -108.64 | 4 | 4 | 2 | 52 | 229.368 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.63 | 4.01 | -40 | 3 | 4 | 1 | 51 | 228.36 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.63 | 2.14 | -50.66 | 3 | 4 | 1 | 51 | 228.36 | 5 | ↓ |
