| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 30th, 2009 | 16 | Yes |
Popular Name: N'-[[2-(aminomethyl)phenyl]methyl]-N,N,N'-trimethyl-ethane-1,2-diamine N'-[[2-(aminomethyl)phenyl]methy…
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| 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) | 0.91 | 3.91 | -113.73 | 4 | 3 | 2 | 35 | 223.364 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.91 | 4.05 | -34.44 | 3 | 3 | 1 | 34 | 222.356 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.91 | 1.94 | -42.41 | 3 | 3 | 1 | 34 | 222.356 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.91 | 3.54 | -31.66 | 3 | 3 | 1 | 34 | 222.356 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.91 | 4.43 | -100.64 | 4 | 3 | 2 | 35 | 223.364 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.91 | 6.4 | -211.35 | 5 | 3 | 3 | 37 | 224.372 | 6 | ↓ |
