| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 15th, 2010 | 16 | Yes |
Popular Name: (3S)-3-methyl-1-[2-[(2S)-tetrahydrofuran-2-yl]ethyl]-1,5-diazocane (3S)-3-methyl-1-[2-[(2S)-tetrahy…
| 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) | 0.93 | 3.97 | -36.54 | 2 | 3 | 1 | 29 | 227.372 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.93 | 5.54 | -28.67 | 2 | 3 | 1 | 26 | 227.372 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.93 | 6.09 | -104.21 | 3 | 3 | 2 | 30 | 228.38 | 3 | ↓ |
