| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 18 | Yes |
Popular Name: (3S,7R)-1-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-3,7-dimethyl-1,5-diazocane (3S,7R)-1-[(1S,2R,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) | 3.28 | 8.76 | -103.37 | 3 | 2 | 2 | 21 | 254.462 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.28 | 8.25 | -35.71 | 2 | 2 | 1 | 20 | 253.454 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
