| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 13th, 2008 | 18 | Yes |
Popular Name: (1S)-N'-butyl-N,N-diethyl-1-phenyl-ethane-1,2-diamine (1S)-N'-butyl-N,N-diethyl-1-phen…
| 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) | 3.55 | 9.82 | -117.59 | 3 | 2 | 2 | 21 | 250.43 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.55 | 8.68 | -28.28 | 2 | 2 | 1 | 16 | 249.422 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.55 | 8.02 | -37.67 | 2 | 2 | 1 | 20 | 249.422 | 9 | ↓ |
