| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 17 | Yes |
Popular Name: (3S,7S)-1-[(1S)-1-cyclopentylethyl]-3,7-dimethyl-1,5-diazocane (3S,7S)-1-[(1S)-1-cyclopentyleth…
| 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) | 3.24 | 6.99 | -34.09 | 2 | 2 | 1 | 20 | 239.427 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.24 | 8.33 | -106.62 | 3 | 2 | 2 | 21 | 240.435 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
