| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 18 | Yes |
Popular Name: (4S,6S)-4,6-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]-1,5-diazocane (4S,6S)-4,6-dimethyl-1-[(5-methy…
| 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) | 1.34 | 3.72 | -35.13 | 2 | 4 | 1 | 46 | 249.382 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.34 | 5.12 | -104.4 | 3 | 4 | 2 | 47 | 250.39 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
