| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 17 | Yes |
Popular Name: (3S)-1-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-3-methyl-1,5-diazocane (3S)-1-[(1S,2R,4S)-2,4-dimethylc…
| 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) | 2.81 | 8.4 | -105.95 | 3 | 2 | 2 | 21 | 240.435 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.81 | 7.04 | -30.72 | 2 | 2 | 1 | 16 | 239.427 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.81 | 6.69 | -35.03 | 2 | 2 | 1 | 20 | 239.427 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
