| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 19 | Yes |
Popular Name: (3R,6S)-1-[(1R,2S,4S)-2,4-dimethylcyclohexyl]-6-ethyl-3-methyl-1,5-diazocane (3R,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) | 4.02 | 9.54 | -102.55 | 3 | 2 | 2 | 21 | 268.489 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.02 | 9 | -33.09 | 2 | 2 | 1 | 20 | 267.481 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
