| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 16 | Yes |
Popular Name: N'-[[3-(aminomethyl)phenyl]methyl]-N,N,N'-trimethyl-ethane-1,2-diamine N'-[[3-(aminomethyl)phenyl]methy…
| 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) | 0.93 | 3.88 | -99.21 | 4 | 3 | 2 | 35 | 223.364 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.93 | 1.56 | -44.99 | 3 | 3 | 1 | 34 | 222.356 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.93 | 3.47 | -33.98 | 3 | 3 | 1 | 34 | 222.356 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.93 | 4.03 | -87.74 | 4 | 3 | 2 | 35 | 223.364 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.93 | 6.35 | -183.78 | 5 | 3 | 3 | 37 | 224.372 | 6 | ↓ |
