| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 15th, 2010 | 17 | Yes |
Popular Name: (4S,6R)-4,6-dimethyl-1-[2-[(2S)-tetrahydrofuran-2-yl]ethyl]-1,5-diazocane (4S,6R)-4,6-dimethyl-1-[2-[(2S)-…
| 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) | 1.47 | 5.2 | -31.33 | 2 | 3 | 1 | 29 | 241.399 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.47 | 5.81 | -27.83 | 2 | 3 | 1 | 26 | 241.399 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.47 | 6.71 | -101.82 | 3 | 3 | 2 | 30 | 242.407 | 3 | ↓ |
