| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 18 | Yes |
Popular Name: 1-[[3-(aminomethyl)phenyl]methyl]-N,N-dimethyl-piperidin-4-amine 1-[[3-(aminomethyl)phenyl]methyl…
| 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) | 1.32 | 5.05 | -87.65 | 4 | 3 | 2 | 35 | 249.402 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.32 | 4.65 | -34.08 | 3 | 3 | 1 | 34 | 248.394 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.32 | 4.3 | -36.95 | 3 | 3 | 1 | 34 | 248.394 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.32 | 7.3 | -175.69 | 5 | 3 | 3 | 37 | 250.41 | 4 | ↓ |
