In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 20 | Yes |
Popular Name: N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-phenoxy-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) | 2.58 | 7.79 | -96.76 | 4 | 3 | 2 | 41 | 272.392 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.58 | 5.45 | -42.45 | 3 | 3 | 1 | 40 | 271.384 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.58 | 7.39 | -37.38 | 3 | 3 | 1 | 40 | 271.384 | 7 | ↓ |