| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 17th, 2010 | 15 | Yes |
| 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) | 0.48 | 3.71 | -39.78 | 2 | 3 | 1 | 33 | 206.313 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.48 | 4.43 | -40.27 | 2 | 3 | 1 | 29 | 206.313 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.48 | 2.48 | -3.76 | 1 | 3 | 0 | 28 | 205.305 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.48 | 4.18 | -80.19 | 3 | 3 | 2 | 34 | 207.321 | 3 | ↓ |
![1-[2-(3-pyridyl)ethyl]-1,4-diazepane](http://zinc12.docking.org/img/rings/523930.gif)
