In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 18 | Yes |
Popular Name: (2S)-N-[2-[4-(aminomethyl)phenoxy]ethyl]-N,3-dimethyl-butan-2-amine (2S)-N-[2-[4-(aminomethyl)phenox…
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) | 2.66 | 6.8 | -85.81 | 4 | 3 | 2 | 41 | 252.402 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.66 | 4.68 | -45.01 | 3 | 3 | 1 | 40 | 251.394 | 7 | ↓ |