| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 18 | Yes |
Popular Name: (1S,2S)-N1-ethyl-N2-methyl-N2-[[(2S)-tetrahydrofuran-2-yl]methyl]cycloheptane-1,2-diamine (1S,2S)-N1-ethyl-N2-methyl-N2-[[…
| 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) | 2.77 | 5.9 | -28.47 | 2 | 3 | 1 | 29 | 255.426 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.77 | 4.98 | -1.81 | 1 | 3 | 0 | 24 | 254.418 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.77 | 7.11 | -27.27 | 2 | 3 | 1 | 26 | 255.426 | 5 | ↓ |
