| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 19 | Yes |
Popular Name: (4S,6S)-1-[(1R,2S,4S)-2,4-dimethylcyclohexyl]-4-ethyl-6-methyl-1,5-diazocane (4S,6S)-1-[(1R,2S,4S)-2,4-dimeth…
| 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) | 3.88 | 9.52 | -103.04 | 3 | 2 | 2 | 21 | 268.489 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.88 | 8.53 | -31.54 | 2 | 2 | 1 | 20 | 267.481 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
