| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 4th, 2010 | 40 | No |
| 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) | 3.89 | 15.07 | -52.03 | 2 | 10 | 1 | 93 | 547.728 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.89 | 12.85 | -16.93 | 1 | 10 | 0 | 92 | 546.72 | 8 | ↓ |
![7,8,9,10-tetrahydro-6H-purino[9,8-a]azepine](http://zinc12.docking.org/img/rings/85019.gif)
![N-[3-(4-phenylpiperazino)propyl]-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)nipecotamide](http://zinc12.docking.org/img/rings/590466.gif)
