| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 18 | Yes |
Popular Name: (2S)-N2-ethyl-N2-[[(2S)-tetrahydrofuran-2-yl]methyl]octane-1,2-diamine (2S)-N2-ethyl-N2-[[(2S)-tetrahyd…
| 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) | 2.84 | 6.73 | -110.78 | 4 | 3 | 2 | 41 | 258.45 | 10 | ↓ |
| Hi High (pH 8-9.5) | 2.84 | 6.36 | -28.12 | 3 | 3 | 1 | 40 | 257.442 | 10 | ↓ |
| Hi High (pH 8-9.5) | 2.84 | 5.11 | -36.58 | 3 | 3 | 1 | 40 | 257.442 | 10 | ↓ |
