| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 18 | No |
Popular Name: N-[[3-(aminomethyl)phenyl]methyl]-2-ethylsulfonyl-N-methyl-ethanamine N-[[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) | 0.68 | 3.53 | -115.72 | 4 | 4 | 2 | 66 | 272.414 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.68 | 0.78 | -11.96 | 2 | 4 | 0 | 63 | 270.398 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.68 | 1.19 | -56.13 | 3 | 4 | 1 | 65 | 271.406 | 7 | ↓ |
